SCHEMBL10175770

SCHEMBL10175770

CC(C)OCCCOC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.30
CASP3 P42574 1/20 0.30
BLM P54132 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL12859116 0.95 MAPK1 (0.37) MAPK1ALDH1A1MAPTCASP3BLM
SCHEMBL12863317 0.93 MAPK1 (0.36) MAPK1ALDH1A1
SCHEMBL20128733 0.87 MAPK1 (0.32) MAPK1ALDH1A1
SCHEMBL13166789 0.86
SCHEMBL11947205 0.84 MAPK1 (0.40) MAPK1
SCHEMBL24084013 0.81 MAPT (0.32) MAPK1ALDH1A1MAPTCASP3BLM
SCHEMBL19655525 0.81 MAPT (0.32) MAPK1ALDH1A1MAPTCASP3BLM
SCHEMBL10717480 0.81 MAPK1 (0.36) MAPK1ALDH1A1TDP1
SCHEMBL2735121 0.81 ALDH1A1 (0.41) MAPK1ALDH1A1MAPTCASP3BLM
SCHEMBL21421559 0.80 HRH2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
US-7732413-B2 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2010-06-08 US disclosed
US-20080234248-A1 Substituted Azetidinone Compounds, Processes for Preparing the Same, Formulations and Uses Thereof SCHERING CORPORATION (US) 2008-09-25 US disclosed
US-7378518-B2 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2008-05-27 US disclosed
US-7368562-B2 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-20070155676-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2007-07-05 US disclosed
US-20070155674-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof SCHERING CORPORATION (US) 2007-07-05 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 (6 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-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BCL2A1, BAX, BCL2 MAPK1 3160/4885ALDH1A1 3017/4885MAPT 4846/4885
US-20070155674-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof APOB, NPC1L1, CYP46A1 MAPK1 3541/4885ALDH1A1 2497/4885MAPT 3020/4885
US-20080234248-A1 Substituted Azetidinone Compounds, Processes for Preparing the Same, Formulations and Uses Thereof CYP46A1, NPC1L1, PCSK9 MAPK1 3088/4885ALDH1A1 1219/4885MAPT 3296/4885
US-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX MAPK1 3552/4885ALDH1A1 3814/4885MAPT 4858/4885
US-20070155676-A1 Substituted azetidinone compounds, processes for preparing the same, formulations and uses thereof APOB, NPC1L1, CYP46A1 MAPK1 3541/4885ALDH1A1 2497/4885MAPT 3020/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX MAPK1 3552/4885ALDH1A1 3814/4885MAPT 4858/4885

“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.