SCHEMBL3630871

SCHEMBL3630871

Cc1cccc(C)c1-c1ccc2c(c1)CCC2=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.54
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GRIA1 P42261 3/20 0.51
CACNG8 Q8WXS5 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
PGR P06401 1/20 0.46
BRD4 O60885 1/20 0.44
TYMS P04818 1/20 0.44
GRM5 P41594 1/20 0.44
GRM1 Q13255 1/20 0.43
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
MPL P40238 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL13680642 0.80 PARP10 (0.64) HSD17B1CASP1CASP7HSD17B10CYP1A2
SCHEMBL28655414 0.80 HSD17B1 (0.78) HSD17B1CASP1CASP7HSD17B10CYP1A2
SCHEMBL28759399 0.80 CASP1 (0.47) HSD17B1CASP1CASP7HSD17B10CYP1A2
SCHEMBL14925866 0.78 GRIA1 (0.49) GRIA1CACNG8CYP1A2BRD4TYMS
SCHEMBL12578183 0.78 FFAR1 (0.58)
SCHEMBL18462214 0.78 HSD17B1 (0.56) HSD17B1CYP1A2CYP11B1CYP11B2PGR
SCHEMBL1747435 0.77 HSD17B1 (0.69) HSD17B1CASP1CASP7HSD17B10CYP1A2
SCHEMBL30885502 0.77 GRIA1 (0.54) GRIA1CACNG8BRD4HTR7
SCHEMBL3989386 0.77 CASP1 (0.66) HSD17B1CASP1CASP7HSD17B10CYP1A2
SCHEMBL19100757 0.76 HSD17B1 (0.62) HSD17B1CASP1CASP7HSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 HSD17B1 443/4885CASP1 621/4885CASP7 2166/4885

“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.