SCHEMBL179682

SCHEMBL179682

CC(C)(C)OC(=O)COC(=O)CCN

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PAM P19021 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
CTSK P43235 2/20 0.30
CYP2D6 P10635 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL132540 0.85 HDAC1 (0.37) CYP1A2HDAC3HDAC1HDAC2HDAC8
SCHEMBL27845350 0.83 MEN1 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL949316 0.83 HDAC1 (0.36) CYP1A2HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL535279 0.83 HDAC1 (0.36) CYP1A2HDAC3HDAC1HDAC2HDAC8
SCHEMBL126977 0.82 ALDH1A1 (0.44) CYP1A2HDAC3HDAC1HDAC2HDAC8
SCHEMBL20872192 0.80 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4774409 0.80 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12905043 0.79 GAA (0.44) CYP1A2HDAC3HDAC1HDAC2HDAC8
SCHEMBL20872178 0.78 HDAC3 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12914655 0.78 RECQL (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160082111-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2016-03-24 US disclosed
US-20140328919-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2014-11-06 US disclosed
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. (US) 2014-11-06 US disclosed
US-20140286873-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2014-09-25 US disclosed
US-20140274947-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2014-09-18 US disclosed
US-20140193510-A1 Polymer-Agent Conjugates, Particles, Compositions, and Related Methods of Use CERULEAN PHARMA INC. (US) 2014-07-10 US disclosed
US-20130202659-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2013-08-08 US disclosed
US-20130196946-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-08-01 US disclosed
US-20120282306-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2012-11-08 US disclosed
US-20120225825-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2012-09-06 US disclosed
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. 2012-08-23 US disclosed
US-20120058971-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2012-03-08 US disclosed
US-20110268658-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2011-11-03 US disclosed
US-20110262490-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2011-10-27 US disclosed
US-20110237540-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2011-09-29 US disclosed
US-20110237686-A1 FORMULATIONS AND METHODS OF USE CERULEAN PHARMA INC (US) 2011-09-29 US disclosed
US-20110189092-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2011-08-04 US disclosed
US-20100247669-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2010-09-30 US disclosed
US-20100247668-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2010-09-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (19 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120058971-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 CYP1A2 3222/4885HDAC3 1573/4885HDAC1 2187/4885
US-20130202659-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 CYP1A2 3438/4885HDAC3 2457/4885HDAC1 2302/4885
US-20160082111-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 CYP1A2 3222/4885HDAC3 1573/4885HDAC1 2187/4885
US-20140274947-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 CYP1A2 3222/4885HDAC3 1573/4885HDAC1 2187/4885
US-20120225825-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 CYP1A2 3222/4885HDAC3 1573/4885HDAC1 2187/4885
US-20130196946-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 CYP1A2 3222/4885HDAC3 1573/4885HDAC1 2187/4885
US-20110237540-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 CYP1A2 3222/4885HDAC3 1573/4885HDAC1 2187/4885
US-20100247669-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 CYP1A2 3438/4885HDAC3 2457/4885HDAC1 2302/4885
US-20110268658-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 CYP1A2 3438/4885HDAC3 2457/4885HDAC1 2302/4885
US-20140286873-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 CYP1A2 3438/4885HDAC3 2457/4885HDAC1 2302/4885
US-20110262490-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 CYP1A2 3438/4885HDAC3 2457/4885HDAC1 2302/4885
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP CYP1A2 2532/4885HDAC3 369/4885HDAC1 317/4885
US-20100247668-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 CYP1A2 3438/4885HDAC3 2457/4885HDAC1 2302/4885
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP CYP1A2 2532/4885HDAC3 369/4885HDAC1 317/4885
US-20140328919-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 CYP1A2 3438/4885HDAC3 2457/4885HDAC1 2302/4885
US-20120282306-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 CYP1A2 3438/4885HDAC3 2457/4885HDAC1 2302/4885
US-20110237686-A1 FORMULATIONS AND METHODS OF USE LPXN, LIPA, CHMP4B CYP1A2 3561/4885HDAC3 3343/4885HDAC1 4438/4885
US-20140193510-A1 Polymer-Agent Conjugates, Particles, Compositions, and Related Methods of Use LPXN, POLI, BRCA1 CYP1A2 3438/4885HDAC3 2457/4885HDAC1 2302/4885
US-20110189092-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 CYP1A2 3438/4885HDAC3 2457/4885HDAC1 2302/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.