SCHEMBL4602341

SCHEMBL4602341

CCCOc1ccc(-c2cc(OC)ccc2F)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.61
PTPN11 Q06124 5/20 0.52
FFAR1 O14842 7/20 0.48
FFAR4 Q5NUL3 2/20 0.47
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
DHODH Q02127 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
RARA P10276 1/20 0.44
RARB P10826 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
SCHEMBL4600298 0.91 MCL1 (0.65) MCL1PTPN11FFAR1FFAR4PTPN1
SCHEMBL14610854 0.90 MCL1 (0.52) MCL1PTPN11FFAR1FFAR4DHODH
SCHEMBL4601795 0.87 MCL1 (0.56) MCL1PTPN11FFAR1FFAR4PTPN1
SCHEMBL4601815 0.84 PTPN11 (0.62) PTPN11PTPN1PTPN6DHODHKDM4E
SCHEMBL4601436 0.81 PTPN11 (0.59) MCL1PTPN11FFAR4PTPN1PTPN6
SCHEMBL4603210 0.81 PTPN11 (0.62) PTPN11FFAR1FFAR4PTPN1PTPN6
SCHEMBL14610856 0.81 MCL1 (0.55) MCL1PTPN11FFAR1FFAR4DHODH
SCHEMBL5151152 0.80 PTPN11 (0.57) MCL1PTPN11PTPN1PTPN6KDM4E
SCHEMBL5155560 0.80 PTPN11 (0.52) MCL1PTPN11PTPN1PTPN6KDM4E
SCHEMBL4601926 0.79 PTPN11 (0.58) MCL1PTPN11FFAR4PTPN1PTPN6

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 MCL1 4302/4885PTPN11 3529/4885FFAR1 196/4885

“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.