SCHEMBL4603062

SCHEMBL4603062

CCCOc1ccc(-c2ccc(C(=O)OC)c(OC)c2)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 2/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC3 O15379 6/20 0.44
HDAC1 Q13547 6/20 0.44
HDAC2 Q92769 6/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC4 P56524 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC9 Q9UKV0 3/20 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
SCHEMBL14557920 1.00 ROCK2 (0.48) ROCK2ROCK1KMT2AMEN1MAPT
SCHEMBL14564885 1.00 ROCK2 (0.48) ROCK2ROCK1KMT2AMEN1MAPT
SCHEMBL5149380 0.94 KMT2A (0.53) ROCK2ROCK1KMT2AMEN1MAPT
SCHEMBL5149313 0.91 KMT2A (0.48) ROCK2ROCK1KMT2AMEN1MAPT
SCHEMBL14159243 0.90 CDK4 (0.47) ROCK2ROCK1KMT2AMEN1MAPT
SCHEMBL4601046 0.90 ROCK2 (0.44) ROCK2ROCK1KMT2AMEN1MAPT
SCHEMBL14557638 0.90 CDK4 (0.50) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL14159167 0.89 MAPT (0.47) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL14557606 0.89 ITGB2 (0.47) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL5152171 0.88 MMP2 (0.52) KMT2AMEN1MAPTHPGDALDH1A1

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 5 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
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 1720/4885KMT2A 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.