SCHEMBL4601457

SCHEMBL4601457

COc1ccc(OC)c(-c2ccc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 11/20 0.57
HDAC1 Q13547 11/20 0.57
HDAC2 Q92769 11/20 0.57
HDAC6 Q9UBN7 6/20 0.57
CDK4 P11802 2/20 0.56
CCND1 P24385 2/20 0.56
HDAC4 P56524 4/20 0.55
HDAC7 Q8WUI4 4/20 0.55
HDAC10 Q969S8 4/20 0.55
HDAC11 Q96DB2 4/20 0.55
HDAC8 Q9BY41 4/20 0.55
HDAC9 Q9UKV0 4/20 0.55
HDAC5 Q9UQL6 4/20 0.55
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
TACR1 P25103 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TRPV1 Q8NER1 1/20 0.52

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
SCHEMBL4602129 0.93 TACR1 (0.56) HDAC3HDAC1HDAC2HDAC6CDK4
SCHEMBL4603496 0.90 HDAC3 (0.52) HDAC3HDAC1HDAC2HDAC6CDK4
SCHEMBL4601806 0.90 HDAC3 (0.52) HDAC3HDAC1HDAC2HDAC6CDK4
SCHEMBL5154823 0.88 KMT2A (0.59) HDAC3HDAC1HDAC2HDAC6CDK4
SCHEMBL5149369 0.87 ITGB2 (0.57) HDAC3HDAC1HDAC2HDAC6CDK4
SCHEMBL5151094 0.87 CDK4 (0.55) HDAC3HDAC1HDAC2HDAC6CDK4
SCHEMBL5149250 0.86 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC6CDK4
SCHEMBL5151707 0.85 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC6CDK4
SCHEMBL5152568 0.85 CDK4 (0.53) HDAC3HDAC1HDAC2HDAC6CDK4
SCHEMBL5149246 0.85 ITGB2 (0.55) HDAC3HDAC1HDAC2HDAC6CDK4

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
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US 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 HDAC3 736/4885HDAC1 1530/4885HDAC2 1250/4885

“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.