SCHEMBL2993635

SCHEMBL2993635

O=C(O)CC(=O)CC1CCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.49
KDM5A P29375 2/20 0.49
KDM5B Q9UGL1 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
BLM P54132 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HAO1 Q9UJM8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
EPHX1 P07099 1/20 0.44
PDPK1 O15530 1/20 0.44

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
SCHEMBL3590904 0.88 FFAR1 (0.52) KDM4CKDM5AKDM5BHTTALDH1A1
SCHEMBL30301824 0.88 FFAR1 (0.52) KDM4CKDM5AKDM5BHTTALDH1A1
SCHEMBL3246802 0.83 FFAR1 (0.51) KDM4CKDM5AKDM5BHTTALDH1A1
SCHEMBL7038866 0.82 HAO1 (0.53) KDM4CKDM5AKDM5BHTTALDH1A1
SCHEMBL1568052 0.81 BLM (0.51) KDM4CKDM5AKDM5BHTTALDH1A1
SCHEMBL10584761 0.80 TSHR (0.50) KDM4CKDM5AKDM5BHTTALDH1A1
SCHEMBL1725811 0.80 BLM (0.50) KDM4CKDM5AKDM5BHTTALDH1A1
SCHEMBL30572310 0.80 BLM (0.50) KDM4CKDM5AKDM5BHTTALDH1A1
SCHEMBL9683763 0.80 BLM (0.50) KDM4CKDM5AKDM5BHTTALDH1A1
SCHEMBL14815647 0.79 HTT (0.49) KDM4CKDM5AKDM5BHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-08-05 US disclosed
WO-2010002483-A1 OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2010-01-07 WO disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 US disclosed
WO-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 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 (4 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-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4C 478/4885KDM5A 977/4885KDM5B 869/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4C 478/4885KDM5A 977/4885KDM5B 869/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4C 478/4885KDM5A 977/4885KDM5B 869/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4C 478/4885KDM5A 977/4885KDM5B 869/4885

“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.