SCHEMBL4602889

SCHEMBL4602889

CCOc1ccc(-c2cccc(C#N)c2)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.58
SLC22A12 Q96S37 1/20 0.58
PTPN11 Q06124 5/20 0.53
RXFP1 Q9HBX9 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.48
CTSA P10619 1/20 0.48
GRIA2 P42262 1/20 0.47
GRIA4 P48058 1/20 0.47
GAA P10253 1/20 0.47
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
CFD P00746 1/20 0.44
CNR2 P34972 1/20 0.44
MMP12 P39900 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
SCHEMBL4602004 0.90 PTPN11 (0.60) XDHSLC22A12PTPN11PTGDR2CTSA
SCHEMBL943785 0.85 TSHR (0.51) XDHRXFP1PTGDR2GAAKMT2A
SCHEMBL4600417 0.84 PTPN11 (0.60) PTPN11RXRARXRBCFDPTPN1
SCHEMBL4603368 0.83 PTPN11 (0.59) PTPN11RXRARXRBCFDPTPN1
SCHEMBL2771810 0.83 CFD (0.61) PTPN11RXRARXRBCFDPTPN1
SCHEMBL5149300 0.81 PTPN11 (0.76) PTPN11GAARXRARXRBPTPN1
SCHEMBL4601409 0.81 PTPN11 (0.57) PTPN11CTSARXRARXRBCFD
SCHEMBL25853120 0.81 PTGDR2 (0.50) XDHSLC22A12RXFP1GABRG2GABRB3
SCHEMBL4602172 0.80 PTPN11 (0.56) PTPN11CTSARXRARXRBCFD
SCHEMBL4602328 0.80 PTPN11 (0.56) PTPN11CTSAGAARXRARXRB

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-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO claimed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R XDH 2517/4885SLC22A12 2359/4885PTPN11 3529/4885

“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.