SCHEMBL4601795

SCHEMBL4601795

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.56
PTPN11 Q06124 5/20 0.55
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
LCLAT1 Q6UWP7 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
DHFR P00374 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.45
TTR P02766 1/20 0.45
ALB P02768 1/20 0.45
HMGB1 P09429 1/20 0.45
HPGD P15428 1/20 0.45
CXCL12 P48061 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 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
SCHEMBL14610491 0.89 MCL1 (0.46) MCL1PTPN11LCLAT1MEN1LMNA
SCHEMBL4602341 0.87 MCL1 (0.61) MCL1PTPN11PTPN1PTPN6KDM4E
SCHEMBL4600298 0.87 MCL1 (0.65) MCL1PTPN11PTPN1PTPN6KDM4E
SCHEMBL4601679 0.85 PTPN11 (0.64) PTPN11PTPN1PTPN6ALDH1A1S1PR3
SCHEMBL7959141 0.85 PTPN11 (0.51) PTPN11PTPN1PTPN6LCLAT1MEN1
SCHEMBL4601436 0.84 PTPN11 (0.59) MCL1PTPN11PTPN1PTPN6LCLAT1
SCHEMBL4602266 0.82 PTPN11 (0.64) MCL1PTPN11PTPN1PTPN6LCLAT1
SCHEMBL25788102 0.82 PTPN11 (0.67) MCL1PTPN11PTPN1PTPN6KDM4E
SCHEMBL4601640 0.82 PTPN11 (0.59) MCL1PTPN11PTPN1PTPN6KMT2A
SCHEMBL4602008 0.81 PTPN11 (0.60) MCL1PTPN11PTPN1PTPN6ACMSD

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 3529/4885PTPN1 3489/4885

“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.