SCHEMBL4601249

SCHEMBL4601249

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.56
RXRB P28702 2/20 0.56
RXRG P48443 1/20 0.56
PTPN11 Q06124 5/20 0.54
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
CFD P00746 1/20 0.46
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
KCNB1 Q14721 3/20 0.44
IDO1 P14902 1/20 0.42
F2 P00734 1/20 0.41
F3 P13726 1/20 0.41
KCNA5 P22460 1/20 0.41

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
SCHEMBL4613167 0.90 PTPN11 (0.61) RXRARXRBRXRGPTPN11ADRB1
SCHEMBL4600417 0.85 PTPN11 (0.60) RXRARXRBPTPN11ADRB1ADRB3
SCHEMBL24413627 0.84 TSHR (0.53) ADRB1ADRB3TSHRHSD17B10KMT2A
SCHEMBL4603368 0.84 PTPN11 (0.59) RXRARXRBPTPN11ADRB1ADRB3
SCHEMBL2771810 0.84 CFD (0.61) RXRARXRBRXRGPTPN11CFD
SCHEMBL4602467 0.83 RXRA (0.59) RXRARXRBPTPN11CFDPTPN1
SCHEMBL5149300 0.82 PTPN11 (0.76) RXRARXRBPTPN11PTPN1PTPN6
SCHEMBL4601409 0.82 PTPN11 (0.57) RXRARXRBPTPN11CFDPTPN1
SCHEMBL4602172 0.81 PTPN11 (0.56) RXRARXRBPTPN11CFDPTPN1
SCHEMBL4602328 0.81 PTPN11 (0.56) RXRARXRBPTPN11CFDPTPN1

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 1669/4885RXRG 1191/4885

“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.