SCHEMBL4600951

SCHEMBL4600951

CCOc1ccc(-c2ccccc2OC(F)(F)F)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.54
FFAR4 Q5NUL3 1/20 0.51
KMT2A Q03164 1/20 0.50
MCL1 Q07820 2/20 0.47
DHODH Q02127 2/20 0.47
IDO1 P14902 1/20 0.46
PTPRC P08575 1/20 0.46
SCN9A Q15858 1/20 0.46
ABL1 P00519 2/20 0.45
FFAR1 O14842 1/20 0.45
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
RORC P51449 1/20 0.44
CTSA P10619 2/20 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
SCHEMBL4602058 0.84 PTPN11 (0.55) PTPN11FFAR4KMT2AMCL1IDO1
SCHEMBL4602117 0.81 AKR1C2 (0.54) PTPN11DHODHCTSA
SCHEMBL4601835 0.81 MCL1 (0.61) PTPN11KMT2AMCL1IDO1PTPRC
SCHEMBL4601180 0.81 S1PR1 (0.55) PTPN11FFAR4DHODHFFAR1CTSA
SCHEMBL3939209 0.80 MCL1 (0.59) PTPN11FFAR4MCL1DHODHSCN9A
SCHEMBL4603368 0.79 PTPN11 (0.59) PTPN11KMT2AMCL1IDO1ALDH1A1
SCHEMBL2771810 0.78 CFD (0.61) PTPN11KMT2AIDO1ALDH1A1L3MBTL1
SCHEMBL4049992 0.78 ACMSD (0.61) PTPN11FFAR4KMT2ADHODHPTPRC
SCHEMBL4602608 0.78 DHODH (0.53) PTPN11KMT2ADHODHCTSA
SCHEMBL27051378 0.78 TSHR (0.49) KMT2AALDH1A1LMNA

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 3529/4885FFAR4 354/4885KMT2A 916/4885

“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.