SCHEMBL4602467

SCHEMBL4602467

CCOc1ccc(-c2cccc(OC(C)C)c2)cc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.59
RXRB P28702 2/20 0.59
PTPN11 Q06124 5/20 0.53
FFAR4 Q5NUL3 3/20 0.50
DHODH Q02127 3/20 0.47
SLC13A5 Q86YT5 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PTPN5 P54829 1/20 0.45
CFD P00746 1/20 0.44
FFAR1 O14842 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
KMT2A Q03164 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
SCHEMBL3933361 0.87 RXRA (0.57) RXRARXRBPTPN11FFAR4DHODH
SCHEMBL4600417 0.84 PTPN11 (0.60) RXRARXRBPTPN11ALDH1A1CFD
SCHEMBL4603021 0.84 PTPN11 (0.65) RXRARXRBPTPN11DHODHPTPN1
SCHEMBL4603368 0.83 PTPN11 (0.59) RXRARXRBPTPN11ALDH1A1CFD
SCHEMBL2771810 0.83 CFD (0.61) RXRARXRBPTPN11ALDH1A1CFD
SCHEMBL4601249 0.83 RXRA (0.56) RXRARXRBPTPN11CFDPTPN1
SCHEMBL4601180 0.82 S1PR1 (0.55) RXRARXRBPTPN11FFAR4DHODH
SCHEMBL4602200 0.82 PTPN11 (0.62) RXRARXRBPTPN11DHODHSLC13A5
SCHEMBL4615367 0.82 RXRA (0.58) RXRARXRBFFAR4DHODHALDH1A1
SCHEMBL5149300 0.81 PTPN11 (0.76) RXRARXRBPTPN11PTPN1PTPN6

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 1669/4885PTPN11 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.