SCHEMBL5154591

SCHEMBL5154591

COc1cc(-c2cc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)ccc2C)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
HDAC3 O15379 7/20 0.46
HDAC1 Q13547 7/20 0.46
HDAC2 Q92769 7/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC4 P56524 4/20 0.46
HDAC7 Q8WUI4 4/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC9 Q9UKV0 4/20 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
SCHEMBL5149288 0.93 MEN1 (0.49) MEN1KMT2AROCK2ROCK1HDAC3
SCHEMBL5151626 0.91 KMT2A (0.56) MEN1KMT2AROCK2ROCK1HDAC3
SCHEMBL5152167 0.89 KMT2A (0.51) MEN1KMT2AROCK2ROCK1HDAC3
SCHEMBL5152568 0.88 CDK4 (0.53) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL5151965 0.88 CDK4 (0.52) MEN1KMT2AROCK2ROCK1HDAC3
SCHEMBL5155523 0.88 TACR1 (0.51) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL5152074 0.87 MEN1 (0.49) MEN1KMT2AROCK2ROCK1HDAC3
SCHEMBL14557771 0.86 PTGS2 (0.50) MEN1KMT2AROCK2ROCK1HDAC3
SCHEMBL5154756 0.86 ITGB2 (0.47) HDAC3HDAC1HDAC2MAPTHPGD
SCHEMBL5149134 0.86 ERAP2 (0.48) HDAC3HDAC1HDAC2MAPTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
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

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 MEN1 410/4885KMT2A 916/4885ROCK2 1645/4885

“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.