SCHEMBL4633386

SCHEMBL4633386

CCOc1ccc(C#Cc2ccc(C(=O)NC)cc2)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 15/20 0.44
HDAC1 Q13547 15/20 0.44
HDAC2 Q92769 15/20 0.44
HDAC6 Q9UBN7 13/20 0.44
HDAC4 P56524 12/20 0.43
HDAC7 Q8WUI4 12/20 0.43
HDAC10 Q969S8 12/20 0.43
HDAC11 Q96DB2 12/20 0.43
HDAC8 Q9BY41 12/20 0.43
HDAC9 Q9UKV0 12/20 0.43
HDAC5 Q9UQL6 12/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NCOR2 Q9Y618 1/20 0.42
MMP9 P14780 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL4632718 0.94 ALOX5 (0.43) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL4633387 0.90 MEN1 (0.43) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL4738463 0.88 ITGB2 (0.51) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL4738079 0.88 ITGB2 (0.51) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL4632709 0.87 HDAC3 (0.45) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL4633744 0.86 MMP2 (0.45) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL5149268 0.85 CDK4 (0.46) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL4737016 0.85 ALOX5 (0.48) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL14069723 0.84 ALOX5 (0.45) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL14557741 0.83 HPGDS (0.46) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US claimed
WO-2008071453-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 EP claimed
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US disclosed
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US disclosed
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US disclosed
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 EP 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-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 HDAC3 1526/4885HDAC1 1780/4885HDAC2 1007/4885

“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.