SCHEMBL4601749

SCHEMBL4601749

CCCOc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.56
RXRB P28702 5/20 0.56
PTPN11 Q06124 5/20 0.55
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
RXRG P48443 4/20 0.48
PPARD Q03181 3/20 0.47
PPARA Q07869 2/20 0.47
SYK P43405 5/20 0.46
CFD P00746 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
SCHEMBL4602156 0.91 PTPN11 (0.60) PTPN11PTPN1PTPN6PPARDPPARA
SCHEMBL4601299 0.90 PTPN11 (0.60) RXRARXRBPTPN11PTPN1PTPN6
SCHEMBL3995376 0.90 RXRB (0.58) RXRARXRBPTPN11PTPN1PTPN6
SCHEMBL14610577 0.89 RXRA (0.45) RXRARXRBPTPN11PTPN1PTPN6
SCHEMBL4601640 0.83 PTPN11 (0.59) PTPN11PTPN1PTPN6PPARDPPARA
SCHEMBL3991276 0.82 RXRB (0.62) RXRARXRBRXRGSYKCFD
SCHEMBL4602854 0.82 PTPN11 (0.57) PTPN11PTPN1PTPN6PPARDPPARA
SCHEMBL4601780 0.81 PTPN11 (0.60) RXRARXRBPTPN11PTPN1PTPN6
SCHEMBL4601679 0.81 PTPN11 (0.64) PTPN11PTPN1PTPN6CFD
SCHEMBL3991789 0.81 PTPN1 (0.58) RXRARXRBPTPN1PTPN6RXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US 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.