SCHEMBL4601902

SCHEMBL4601902

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 3/20 0.62
PTPN11 Q06124 5/20 0.60
S1PR1 P21453 1/20 0.54
S1PR3 Q99500 1/20 0.54
PTGER4 P35408 4/20 0.50
DHODH Q02127 1/20 0.50
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
KMT2A Q03164 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
BCL2 P10415 1/20 0.47
CFD P00746 1/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MRGPRX4 Q96LA9 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
SCHEMBL4603310 0.90 PTPN11 (0.67) ACMSDPTPN11S1PR1S1PR3PTGER4
SCHEMBL4600417 0.86 PTPN11 (0.60) ACMSDPTPN11PTPN1PTPN6KMT2A
SCHEMBL4603368 0.86 PTPN11 (0.59) ACMSDPTPN11PTPN1PTPN6KMT2A
SCHEMBL2771810 0.85 CFD (0.61) PTPN11S1PR3PTPN1PTPN6KMT2A
SCHEMBL5149300 0.83 PTPN11 (0.76) PTPN11PTPN1PTPN6RXRARXRB
SCHEMBL4601409 0.83 PTPN11 (0.57) PTPN11DHODHPTPN1PTPN6KMT2A
SCHEMBL4602328 0.82 PTPN11 (0.56) PTPN11PTPN1PTPN6KMT2ARXRA
SCHEMBL4602172 0.82 PTPN11 (0.56) PTPN11DHODHPTPN1PTPN6KMT2A
SCHEMBL3933361 0.81 RXRA (0.57) PTPN11PTGER4DHODHRXRARXRB
SCHEMBL5151569 0.81 PTPN11 (0.65) PTPN11KMT2ARXRARXRBCFD

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 ACMSD 1330/4885PTPN11 3529/4885S1PR1 310/4885

“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.