SCHEMBL1419929

SCHEMBL1419929

CC1(C)OC(c2ccc(Cl)cc2)=CC1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
PGR P06401 2/20 0.43
RECQL P46063 1/20 0.38
PTGS2 P35354 3/20 0.37
PTGS1 P23219 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
SIGMAR1 Q99720 3/20 0.36
GRM2 Q14416 1/20 0.36
DRD2 P14416 1/20 0.36
ELANE P08246 1/20 0.35
NOTUM Q6P988 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
DGAT1 O75907 1/20 0.34

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
SCHEMBL12169135 0.83 SIGMAR1 (0.37) ALDH1A1PTGS2KDM4EHPGDSIGMAR1
SCHEMBL7897120 0.81 SIGMAR1 (0.36) ALDH1A1RECQLKDM4EHPGDSIGMAR1
SCHEMBL286520 0.79 HPGD (0.55) ALDH1A1KDM4EHPGDSIGMAR1DRD2
SCHEMBL286625 0.78 SIGMAR1 (0.36) ALDH1A1PTGS2KDM4EHPGDSIGMAR1
SCHEMBL7001594 0.77 SIGMAR1 (0.34) ALDH1A1KDM4EHPGDSIGMAR1DRD2
SCHEMBL12169181 0.77 SIGMAR1 (0.34) ALDH1A1RECQLKDM4EHPGDSIGMAR1
SCHEMBL7005878 0.77 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL1419953 0.77 HSD17B10 (0.41) ALDH1A1RECQLNOTUM
SCHEMBL1419830 0.75 MAOB (0.41) PTGS2PTGS1KDM4E
SCHEMBL12169205 0.74 PTGS1 (0.33) PGRPTGS2PTGS1SIGMAR1HCAR2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297133-B1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS FORUM PHARMACEUTICALS INC (US) 2017-09-13 EP disclosed
EP-2297133-B1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS FORUM PHARMACEUTICALS INC (US) 2017-09-13 EP disclosed
US-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 US disclosed
US-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 US disclosed
US-9265767-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2016-02-23 US disclosed
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2015-10-01 US disclosed
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2015-10-01 US disclosed
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS FMR LLC 2015-10-01 US disclosed
CN-102131801-B 1, 2 disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC 2015-04-08 CN disclosed
US-8933074-B2 1,2-disubstituted heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-01-13 US disclosed
US-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. 2012-09-13 US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071595-B2 1,2-disubstituted heterocyclic compounds ENVIVO PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
EP-2297133-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS Envivo Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds ENVIVO PHARMACEUTICALS, INC. (US) 2010-06-03 US disclosed
WO-2009158393-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed
WO-2009158393-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 WO 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 (3 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-20120232265-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A ALDH1A1 699/4885PGR 3909/4885RECQL 403/4885
US-20150274706-A1 1,2-DISUBSTITUTED HETEROCYCLIC COMPOUNDS PDE12, PDE7A, PDE10A ALDH1A1 699/4885PGR 3909/4885RECQL 403/4885
US-20100137317-A1 1,2-Disubstituted Heterocyclic Compounds PDE12, PDE7A, PDE10A ALDH1A1 699/4885PGR 3909/4885RECQL 403/4885

“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.