SCHEMBL4602117

SCHEMBL4602117

CCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.54
AKR1C1 Q04828 1/20 0.54
PTPN11 Q06124 3/20 0.50
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 1/20 0.49
PTGER4 P35408 1/20 0.48
AURKA O14965 1/20 0.48
TPX2 Q9ULW0 1/20 0.48
PPARD Q03181 2/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
CTSA P10619 1/20 0.47
CFD P00746 1/20 0.46
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PPIB P23284 1/20 0.44
PPIA P62937 1/20 0.44
IGF2BP2 Q9Y6M1 1/20 0.44
HRH2 P25021 1/20 0.43

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
SCHEMBL4601788 0.90 PTPN11 (0.57) AKR1C2AKR1C1PTPN11PTGER4AURKA
SCHEMBL27051378 0.89 TSHR (0.49) AKR1C2AKR1C1PPARDTSHRHSD17B10
SCHEMBL4601180 0.89 S1PR1 (0.55) PTPN11RXRARXRBRXRGCTSA
SCHEMBL2771810 0.84 CFD (0.61) PTPN11RXRARXRBRXRGPTPN1
SCHEMBL4600782 0.83 PTPN11 (0.54) PTPN11RXRARXRBPTPN1PTPN6
SCHEMBL5372090 0.83 SMN1; SMN2 (0.51)
SCHEMBL4600863 0.82 PTPN11 (0.56) PTPN11RXRARXRBRXRGPTPN1
SCHEMBL3372019 0.82 KDM4E (0.51) AKR1C2AKR1C1TSHRHSD17B10IGF2BP2
SCHEMBL4603368 0.82 PTPN11 (0.59) PTPN11RXRARXRBPTPN1PTPN6
SCHEMBL4600951 0.81 PTPN11 (0.54) PTPN11CTSADHODH

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 AKR1C2 921/4885AKR1C1 897/4885PTPN11 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.