SCHEMBL4601732

SCHEMBL4601732

CCOc1ccc(-c2ccc(NC(C)=O)cc2)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
RORC P51449 1/20 0.57
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
FDPS P14324 1/20 0.52
IDO1 P14902 1/20 0.52
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTPN11 Q06124 3/20 0.51
MAPT P10636 4/20 0.50
CFD P00746 1/20 0.50
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
GAA P10253 1/20 0.46
CREBBP Q92793 1/20 0.46
TTK P33981 1/20 0.46
MAPK8 P45983 1/20 0.46

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
SCHEMBL4601876 0.90 PTPN11 (0.58) TDP1RORCMEN1KMT2ALMNA
SCHEMBL10943849 0.89 TDP1 (0.67) TDP1RORCMEN1KMT2ALMNA
SCHEMBL4613725 0.88 CREBBP (0.55) TDP1RORCMEN1KMT2AHTT
SCHEMBL2771810 0.85 CFD (0.61) MEN1KMT2ALMNAIDO1L3MBTL1
SCHEMBL4603368 0.83 PTPN11 (0.59) KMT2ALMNAIDO1L3MBTL1PTPN11
SCHEMBL4602041 0.81 PTPN11 (0.57) KMT2ALMNAIDO1PTPN11MAPT
SCHEMBL4600417 0.80 PTPN11 (0.60) KMT2ALMNAIDO1HTTPTPN11
SCHEMBL7371976 0.80 TDP1 (0.76) TDP1RORCMEN1KMT2ALMNA
SCHEMBL4602938 0.80 PTPN11 (0.56) KMT2ALMNAPTPN11CFDPTPN1
SCHEMBL4600863 0.80 PTPN11 (0.56) KMT2ALMNAIDO1PTPN11MAPT

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 TDP1 1811/4885RORC 4393/4885MEN1 410/4885

“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.