SCHEMBL4640422

SCHEMBL4640422

Cc1ccccc1C#Cc1cc2c(c(C(=O)O)c1)OCC=C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.40
FFAR4 Q5NUL3 2/20 0.39
CHRM2 P08172 1/20 0.39
S1PR1 P21453 1/20 0.39
FPR1 P21462 1/20 0.39
FPR3 P25089 1/20 0.39
GPR183 P32249 1/20 0.39
APLNR P35414 1/20 0.39
GPR65 Q8IYL9 1/20 0.39
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
HNF4A P41235 1/20 0.34
GRM5 P41594 1/20 0.34
IKBKB O14920 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DHODH Q02127 1/20 0.32
CYP2B6 P20813 1/20 0.32

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
SCHEMBL4644485 0.88 FFAR1 (0.37) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL4642089 0.86 FFAR1 (0.42) FFAR1AKR1C2AKR1C1HNF4AHAO1
SCHEMBL14091737 0.73 MMP2 (0.40)
SCHEMBL4641334 0.68 CYP1A1 (0.33) CYP1A1CYP1A2
SCHEMBL4642121 0.68 NPC1 (0.33) FFAR1IKBKBNPC1RAB9A
SCHEMBL1748858 0.67 CYP2B6 (0.42) CYP1A1CYP1A2CYP2B6
SCHEMBL30629173 0.67 CYP2B6 (0.42) CYP1A1CYP1A2CYP2B6
Toluic Acid SCHEMBL27917964 0.66 MYC (0.43) AKR1C2AKR1C1CYP1A2NPC1RAB9A
SCHEMBL4735110 0.64 CTNNB1 (0.46) FFAR1HNF4ANPC1RAB9A
SCHEMBL30011755 0.63 NPC1 (0.59) FFAR1AKR1C2AKR1C1HNF4ACYP1A2

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
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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 (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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 FFAR1 180/4885FFAR4 309/4885CHRM2 19/4885

“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.