SCHEMBL4601658

SCHEMBL4601658

CCCOc1ccc(-c2ccccc2)cc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.67
PTPN1 P18031 1/20 0.62
PTPN6 P29350 1/20 0.62
SLC6A9 P48067 4/20 0.52
CFD P00746 1/20 0.51
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
ACMSD Q8TDX5 3/20 0.50
HNF4A P41235 2/20 0.50
DHFR P00374 1/20 0.50
MCL1 Q07820 1/20 0.50
S1PR3 Q99500 1/20 0.49
PDE10A Q9Y233 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.47
PTK2B Q14289 1/20 0.47

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
SCHEMBL4601726 0.97 PTPN11 (0.68) PTPN11PTPN1PTPN6SLC6A9CFD
SCHEMBL27288709 0.93 PTPN11 (0.74) PTPN11PTPN1PTPN6SLC6A9CFD
SCHEMBL4603016 0.90 PTPN11 (0.82) PTPN11PTPN1PTPN6CFD
SCHEMBL4600952 0.89 PTPN11 (0.85) PTPN11PTPN1PTPN6SLC6A9S1PR3
SCHEMBL4600995 0.89 PTPN11 (0.65) PTPN11PTPN1PTPN6ADRB1ADRB3
SCHEMBL4602661 0.89 PTPN11 (0.65) PTPN11PTPN1PTPN6SLC6A9CFD
SCHEMBL4601762 0.89 PTPN11 (0.65) PTPN11PTPN1PTPN6SLC6A9CFD
SCHEMBL4601206 0.88 PTPN11 (0.64) PTPN11PTPN1PTPN6SLC6A9CFD
SCHEMBL14610792 0.88 IKBKB (0.56) PTPN11PTPN1PTPN6SLC6A9ADRB1
SCHEMBL4601679 0.88 PTPN11 (0.64) PTPN11PTPN1PTPN6CFDADRB1

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 3529/4885PTPN1 3489/4885PTPN6 4028/4885

“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.