SCHEMBL1747435

SCHEMBL1747435

Cc1ccc(-c2ccc3c(c2)CCC3=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.69
CYP1A2 P05177 1/20 0.55
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PGR P06401 1/20 0.49
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
PARP10 Q53GL7 3/20 0.45
PARP11 Q9NR21 3/20 0.45
SLC11A2 P49281 1/20 0.45
GRM5 P41594 1/20 0.44
GRM1 Q13255 1/20 0.43
PTGS2 P35354 1/20 0.42
BRD4 O60885 1/20 0.41
PRKCI P41743 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
SCHEMBL8170785 0.89 HSD17B1 (0.71) HSD17B1CYP1A2CYP11B1CYP11B2PGR
SCHEMBL28655414 0.88 HSD17B1 (0.78) HSD17B1CYP1A2CYP11B1CYP11B2CASP1
SCHEMBL19100757 0.87 HSD17B1 (0.62) HSD17B1CYP1A2CYP11B1CYP11B2CASP1
SCHEMBL5208267 0.85 BRD4 (0.55) HSD17B1CYP1A2CYP11B1CYP11B2CASP1
SCHEMBL13680642 0.84 PARP10 (0.64) HSD17B1CYP1A2CYP11B1CYP11B2CASP1
SCHEMBL29726014 0.84 CASP1 (0.59) HSD17B1CYP1A2CYP11B1CYP11B2CASP1
SCHEMBL27632859 0.84 CASP1 (0.59) HSD17B1CYP1A2CYP11B1CYP11B2CASP1
SCHEMBL423287 0.84 CASP1 (0.59) HSD17B1CYP1A2CYP11B1CYP11B2CASP1
SCHEMBL1745161 0.83 HSD17B1 (0.71) HSD17B1CYP1A2CYP11B1CYP11B2CASP1
Hydrochloric Acid SCHEMBL7402731 0.82 CASP1 (0.57) HSD17B1CYP1A2CYP11B1CYP11B2CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758398-B1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL]-2-AZABICYCLO [2.2.1]HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP 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 (1 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-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR HSD17B1 1793/4885CYP1A2 4431/4885CYP11B1 2246/4885

“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.