SCHEMBL4602058

SCHEMBL4602058

CCOc1ccc(-c2ccccc2C(F)(F)F)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.55
KMT2A Q03164 1/20 0.51
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
CTSA P10619 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
IDO1 P14902 2/20 0.47
LMNA P02545 1/20 0.45
FFAR1 O14842 1/20 0.44
TRPA1 O75762 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MCL1 Q07820 2/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL4600951 0.84 PTPN11 (0.54) PTPN11KMT2ACTSAFFAR4IDO1
SCHEMBL4601835 0.82 MCL1 (0.61) PTPN11KMT2ACTSAIDO1LMNA
SCHEMBL4603368 0.80 PTPN11 (0.59) PTPN11KMT2ARXRARXRBIDO1
SCHEMBL14252318 0.80 ALDH1A1 (0.49) FFAR4TRPA1PPARGPPARAMCL1
SCHEMBL2771810 0.79 CFD (0.61) PTPN11KMT2ARXRARXRBRXRG
SCHEMBL4601482 0.79 PTPN11 (0.56) PTPN11KMT2AIDO1LMNAMCL1
SCHEMBL4601854 0.79 PTPN11 (0.53) PTPN11KMT2ARXRARXRBRXRG
SCHEMBL3995376 0.78 RXRB (0.58) PTPN11KMT2ARXRARXRBRXRG
SCHEMBL5788415 0.78 CHEK1 (0.50) CTSAFFAR4IDO1MCL1ALDH1A1
SCHEMBL4600417 0.77 PTPN11 (0.60) PTPN11KMT2ARXRARXRBIDO1

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 3529/4885KMT2A 916/4885RXRA 1256/4885

“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.