SCHEMBL4601637

SCHEMBL4601637

CCOc1ccc(-c2cccc(OCC3CC3)c2)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
NR1H4 Q96RI1 2/20 0.52
PPARD Q03181 4/20 0.50
FFAR1 O14842 3/20 0.50
PPARA Q07869 1/20 0.49
PTPN11 Q06124 2/20 0.49
LRRK2 Q5S007 1/20 0.48
FFAR4 Q5NUL3 2/20 0.47
FABP1 P07148 1/20 0.46
SYK P43405 1/20 0.46
HTR7 P34969 1/20 0.46
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
ICMT O60725 1/20 0.44
DHODH Q02127 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
SCHEMBL4601924 0.91 PTPN11 (0.56) RXRARXRBNR1H4PPARDFFAR1
SCHEMBL3933361 0.83 RXRA (0.57) RXRARXRBFFAR1PTPN11FFAR4
SCHEMBL4603021 0.82 PTPN11 (0.65) RXRARXRBNR1H4PTPN11DHODH
SCHEMBL4602200 0.81 PTPN11 (0.62) RXRARXRBPPARDFFAR1PTPN11
SCHEMBL4602467 0.81 RXRA (0.59) RXRARXRBFFAR1PTPN11FFAR4
SCHEMBL4600417 0.80 PTPN11 (0.60) RXRARXRBPTPN11
SCHEMBL4603368 0.79 PTPN11 (0.59) RXRARXRBPTPN11
SCHEMBL2771810 0.79 CFD (0.61) RXRARXRBPTPN11
SCHEMBL4602992 0.79 KDM4E (0.54) RXRARXRBPTPN11DHODH
SCHEMBL4601180 0.79 S1PR1 (0.55) RXRARXRBFFAR1PTPN11FFAR4

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 RXRA 1256/4885RXRB 1669/4885NR1H4 797/4885

“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.