SCHEMBL5151965

SCHEMBL5151965

COc1cc(-c2ccccc2C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.52
CCND1 P24385 6/20 0.52
PTGS2 P35354 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49

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
SCHEMBL4601918 0.91 ITGB2 (0.55) CDK4CCND1PTGS2HDAC3HDAC4
SCHEMBL4600887 0.91 KMT2A (0.57) CDK4CCND1HDAC3HDAC4HDAC1
SCHEMBL14557757 0.88 KMT2A (0.52) CDK4CCND1PTGS2HDAC3HDAC4
SCHEMBL4603547 0.88 CDK4 (0.68) CDK4CCND1PTGS2HDAC3HDAC4
SCHEMBL5154591 0.88 MEN1 (0.49) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL14557771 0.87 PTGS2 (0.50) CDK4CCND1PTGS2HDAC3HDAC4
SCHEMBL14161470 0.87 PTGS2 (0.48) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL14557816 0.87 PTGS2 (0.48) PTGS2HDAC3HDAC4HDAC1HDAC7
SCHEMBL14557875 0.87 KMT2A (0.49) CDK4CCND1PTGS2HDAC3HDAC4
SCHEMBL5149188 0.87 CDK4 (0.54) CDK4CCND1PTGS2HDAC3HDAC4

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 CDK4 4400/4885CCND1 592/4885PTGS2 2376/4885

“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.