SCHEMBL4601924

SCHEMBL4601924

CCCOc1ccc(-c2cccc(OCC3CC3)c2)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.56
NR1H4 Q96RI1 2/20 0.50
PPARD Q03181 4/20 0.48
FFAR1 O14842 3/20 0.48
PPARA Q07869 1/20 0.48
LRRK2 Q5S007 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
FFAR4 Q5NUL3 2/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
KMT2A Q03164 1/20 0.45
FABP1 P07148 1/20 0.45
SYK P43405 1/20 0.44
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
MPL P40238 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
SCHEMBL4601637 0.91 RXRA (0.53) PTPN11NR1H4PPARDFFAR1PPARA
SCHEMBL4600995 0.88 PTPN11 (0.65) PTPN11NR1H4PTPN1PTPN6RXRA
SCHEMBL4602200 0.86 PTPN11 (0.62) PTPN11PPARDFFAR1PTPN1PTPN6
SCHEMBL4603210 0.83 PTPN11 (0.62) PTPN11FFAR1PTPN1PTPN6FFAR4
SCHEMBL4599953 0.81 PTPN11 (0.57) PTPN11PTPN1PTPN6RXRARXRB
SCHEMBL4601726 0.81 PTPN11 (0.68) PTPN11PTPN1PTPN6RXRARXRB
SCHEMBL4601658 0.80 PTPN11 (0.67) PTPN11PTPN1PTPN6KMT2A
SCHEMBL4601762 0.78 PTPN11 (0.65) PTPN11PTPN1PTPN6KMT2ASYK
SCHEMBL4602661 0.78 PTPN11 (0.65) PTPN11PTPN1PTPN6KMT2A
SCHEMBL4600952 0.78 PTPN11 (0.85) PTPN11PPARDPPARAPTPN1PTPN6

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 3529/4885NR1H4 797/4885PPARD 2894/4885

“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.