SCHEMBL4601810

SCHEMBL4601810

CCCOc1ccc(C=Cc2ccc(F)cc2)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 19/20 0.53
HDAC1 Q13547 19/20 0.53
HDAC2 Q92769 19/20 0.53
HDAC6 Q9UBN7 19/20 0.53
HDAC4 P56524 18/20 0.53
HDAC7 Q8WUI4 18/20 0.53
HDAC10 Q969S8 18/20 0.53
HDAC11 Q96DB2 18/20 0.53
HDAC8 Q9BY41 18/20 0.53
HDAC9 Q9UKV0 18/20 0.53
HDAC5 Q9UQL6 18/20 0.53
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45

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
SCHEMBL14557658 1.00 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL5151030 1.00 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL5151585 0.93 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL4601648 0.93 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL14564875 0.85 ITGB2 (0.49) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL14557654 0.85 ITGB2 (0.49) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL4601501 0.85 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL5151716 0.85 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL5151734 0.84 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL5151724 0.84 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC6HDAC4

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
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
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.