SCHEMBL4601046

SCHEMBL4601046

CCCOc1ccc(-c2ccc(C(=O)OC)c(OC)c2)cc1C(=O)NC(CO)Cc1c[nH]c2ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.44
ROCK1 Q13464 7/20 0.44
HTR1A P08908 4/20 0.42
SLC6A4 P31645 3/20 0.41
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR2A P28223 1/20 0.37
SPR P35270 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36

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
SCHEMBL14557920 0.90 ROCK2 (0.48) ROCK2ROCK1TLR8TLR7MAPT
SCHEMBL14557682 0.90 HTR1A (0.42) ROCK2ROCK1HTR1ASLC6A4MAPT
SCHEMBL14564885 0.90 ROCK2 (0.48) ROCK2ROCK1TLR8TLR7MAPT
SCHEMBL4603062 0.90 ROCK2 (0.48) ROCK2ROCK1TLR8TLR7MAPT
SCHEMBL14557691 0.89 HTR2A (0.40) ROCK2ROCK1HTR1ASLC6A4HTR2A
SCHEMBL14557695 0.89 HTR1A (0.44) ROCK2ROCK1HTR1ASLC6A4TLR8
SCHEMBL4600979 0.89 TDO2 (0.42) ROCK2ROCK1HTR1ASLC6A4TLR8
SCHEMBL4603009 0.89 ROCK2 (0.43) ROCK2ROCK1HTR1ASLC6A4TLR8
SCHEMBL14557690 0.88 ITGB2 (0.42) ROCK2ROCK1HTR1ASLC6A4HTR2A
SCHEMBL14610637 0.88 ICMT (0.41) HTR1ASLC6A4HTR2ASPRICMT

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 8 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
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US 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 ROCK2 1645/4885ROCK1 1720/4885HTR1A 8/4885

“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.