SCHEMBL125445

SCHEMBL125445

CC(C)(C)[C@@H]1OC(c2ccccc2)O[C@H]1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 2/20 0.34
SIRT1 Q96EB6 1/20 0.33
EPHX1 P07099 4/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL19784271 1.00 MEN1 (0.39) MEN1KMT2ACYP2C19TSHRSIRT1
SCHEMBL193847 0.83 TSHR (0.32) MEN1KMT2ACYP2C19TSHR
SCHEMBL10530703 0.79 EPHX1 (0.37) CYP2C19TSHREPHX1
SCHEMBL20365857 0.78 EPHX1 (0.33) EPHX1
SCHEMBL8540529 0.74 MAPK1 (0.50) MEN1KMT2ACYP2C19TSHREPHX1
SCHEMBL8537818 0.74 MAPK1 (0.50) MEN1KMT2ACYP2C19TSHREPHX1
SCHEMBL16420410 0.74 ALDH1A1 (0.35) TSHRLMNAALDH1A1
SCHEMBL1245102 0.73 MEN1 (0.48) MEN1KMT2ACYP2C19TSHREPHX1
SCHEMBL13356510 0.73 MEN1 (0.48) MEN1KMT2ACYP2C19TSHREPHX1
SCHEMBL3092739 0.73 MEN1 (0.48) MEN1KMT2ACYP2C19TSHREPHX1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180015170-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC (US) 2018-01-18 US disclosed
US-20160082111-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2016-03-24 US disclosed
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2016-03-03 US disclosed
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2015-01-01 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-20140274947-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2014-09-18 US disclosed
US-20140255374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2014-09-11 US disclosed
US-20130261173-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-10-03 US disclosed
US-20130196906-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-08-01 US disclosed
US-20130196946-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-08-01 US disclosed
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2013-03-07 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-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2012-03-15 US disclosed
US-20120058971-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2012-03-08 US disclosed
US-20110237540-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2011-09-29 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 (16 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 MEN1 3636/4885KMT2A 4479/4885CYP2C19 2830/4885
US-20160082111-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 MEN1 3636/4885KMT2A 4479/4885CYP2C19 2830/4885
US-20140274947-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 MEN1 3636/4885KMT2A 4479/4885CYP2C19 2830/4885
US-20120225825-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 MEN1 3636/4885KMT2A 4479/4885CYP2C19 2830/4885
US-20130196946-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 MEN1 3636/4885KMT2A 4479/4885CYP2C19 2830/4885
US-20110237540-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 MEN1 3636/4885KMT2A 4479/4885CYP2C19 2830/4885
US-20130196906-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC MEN1 2879/4885KMT2A 4529/4885CYP2C19 2796/4885
US-20140255374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 MEN1 1397/4885KMT2A 3696/4885CYP2C19 4674/4885
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 MEN1 1397/4885KMT2A 3696/4885CYP2C19 4674/4885
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP MEN1 817/4885KMT2A 4297/4885CYP2C19 1748/4885
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 MEN1 1397/4885KMT2A 3696/4885CYP2C19 4674/4885
US-20130261173-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 MEN1 3636/4885KMT2A 4479/4885CYP2C19 2830/4885
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP MEN1 817/4885KMT2A 4297/4885CYP2C19 1748/4885
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC MEN1 2879/4885KMT2A 4529/4885CYP2C19 2796/4885
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC MEN1 2879/4885KMT2A 4529/4885CYP2C19 2796/4885
US-20180015170-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 MEN1 3636/4885KMT2A 4479/4885CYP2C19 2830/4885

“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.