SCHEMBL2993631

SCHEMBL2993631

CC(=O)C(C(=O)O)C1CCCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
XBP1 P17861 1/20 0.43
HSD17B10 Q99714 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
MAPK1 P28482 1/20 0.41
MAPK14 Q16539 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL31072340 0.81 MTNR1A (0.44) HTTMTNR1B
SCHEMBL5158911 0.81 MTNR1A (0.44) HTTMTNR1B
SCHEMBL6476247 0.80 HTT (0.49) HTTALDH1A1RAB9AKMT2AMEN1
SCHEMBL30644032 0.79 HTT (0.48) HTTALDH1A1RAB9AKMT2AMEN1
SCHEMBL5285710 0.79 HTT (0.48) HTTALDH1A1RAB9AKMT2AMEN1
SCHEMBL3397663 0.78 HTT (0.48) HTTALDH1A1RAB9AKMT2AMEN1
Hydrogen Peroxide SCHEMBL9456544 0.78 IDO1 (0.46) HTTALDH1A1RAB9AKMT2AMEN1
SCHEMBL829965 0.77 PPARA (0.45) HTTALDH1A1
SCHEMBL8802816 0.75 TSHR (0.50) HTTALDH1A1KMT2AMEN1XBP1
SCHEMBL21400761 0.74 IDO1 (0.49) HTTALDH1A1KMT2AMEN1

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 HTT 259/4885ALDH1A1 274/4885RAB9A 1414/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R HTT 259/4885ALDH1A1 274/4885RAB9A 1414/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R HTT 259/4885ALDH1A1 274/4885RAB9A 1414/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R HTT 259/4885ALDH1A1 274/4885RAB9A 1414/4885

“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.