SCHEMBL4600533

SCHEMBL4600533

CCOc1ccc(-c2ccc(F)c(OC)c2)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
PTPN11 Q06124 5/20 0.48
KDM4E B2RXH2 2/20 0.48
APAF1 O14727 1/20 0.48
RECQL P46063 1/20 0.48
CASP6 P55212 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
MCL1 Q07820 1/20 0.48
CASP8 Q14790 1/20 0.48
NEK2 P51955 1/20 0.47
CFD P00746 1/20 0.47
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
TNFRSF1A P19438 1/20 0.45
WDR5 P61964 1/20 0.45

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
SCHEMBL5154645 0.90 TSHR (0.51) TSHRPTPN11KDM4EAPAF1RECQL
SCHEMBL14610776 0.89 TSHR (0.49) TSHRTNFRSF1AMAPK1
SCHEMBL4603254 0.89 TSHR (0.59) TSHRPTPN11KDM4EAPAF1RECQL
SCHEMBL4602660 0.88 TSHR (0.47) TSHRPTPN11KDM4EAPAF1RECQL
SCHEMBL2771810 0.85 CFD (0.61) TSHRPTPN11KDM4ECFDKMT2A
SCHEMBL4603132 0.85 NEK2 (0.56) TSHRPTPN11KDM4EAPAF1RECQL
SCHEMBL4600863 0.83 PTPN11 (0.56) TSHRPTPN11CFDKMT2AHSD17B10
SCHEMBL4600782 0.82 PTPN11 (0.54) TSHRPTPN11KDM4ECFDKMT2A
SCHEMBL4602700 0.81 PTPN11 (0.45) TSHRPTPN11KDM4ECFDKMT2A
SCHEMBL4602938 0.80 PTPN11 (0.56) TSHRPTPN11CFDKMT2AHSD17B10

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 TSHR 122/4885PTPN11 3529/4885KDM4E 2399/4885

“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.