SCHEMBL4602041

SCHEMBL4602041

CCOc1ccc(-c2ccc(C)cc2)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.57
MCL1 Q07820 2/20 0.57
IDO1 P14902 3/20 0.53
PTPN1 P18031 1/20 0.53
PTPN6 P29350 1/20 0.53
CFD P00746 1/20 0.53
TSHR P16473 2/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 1/20 0.50
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
LMNA P02545 1/20 0.47
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 1/20 0.46
MAPT P10636 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
SCHEMBL2771810 0.92 CFD (0.61) PTPN11IDO1PTPN1PTPN6CFD
SCHEMBL4603368 0.89 PTPN11 (0.59) PTPN11MCL1IDO1PTPN1PTPN6
SCHEMBL1641613 0.87 TSHR (0.57) PTPN11TSHRHSD17B10KMT2ALMNA
SCHEMBL4601409 0.87 PTPN11 (0.57) PTPN11MCL1IDO1PTPN1PTPN6
SCHEMBL4600863 0.86 PTPN11 (0.56) PTPN11IDO1PTPN1PTPN6CFD
SCHEMBL4600417 0.86 PTPN11 (0.60) PTPN11MCL1IDO1PTPN1PTPN6
SCHEMBL4602938 0.86 PTPN11 (0.56) PTPN11PTPN1PTPN6CFDTSHR
SCHEMBL9187547 0.85 TSHR (0.56) PTPN11TSHRHSD17B10KMT2ALMNA
SCHEMBL4600782 0.85 PTPN11 (0.54) PTPN11PTPN1PTPN6CFDTSHR
SCHEMBL4602831 0.84 PTPN11 (0.53) PTPN11MCL1IDO1PTPN1PTPN6

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 PTPN11 3529/4885MCL1 4302/4885IDO1 150/4885

“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.