SCHEMBL4633753

SCHEMBL4633753

CC(C)Oc1ccc(C#Cc2ccccc2C#N)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CTSL P07711 2/20 0.40
CDK2 P24941 1/20 0.39
HDAC3 O15379 5/20 0.39
HDAC4 P56524 5/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC7 Q8WUI4 5/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC10 Q969S8 5/20 0.39
HDAC11 Q96DB2 5/20 0.39
HDAC8 Q9BY41 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
HDAC9 Q9UKV0 5/20 0.39
HDAC5 Q9UQL6 5/20 0.39
ECE1 P42892 1/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
CYP2D6 P10635 2/20 0.39

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
SCHEMBL4736574 0.93 CDK2 (0.43) CTSCMEN1KMT2ACTSLCDK2
SCHEMBL4634729 0.92 MEN1 (0.41) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL4633786 0.92 HDAC3 (0.42) CTSCMEN1KMT2ACTSLHDAC3
SCHEMBL4632690 0.91 HDAC3 (0.44) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL4633411 0.91 HDAC3 (0.43) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL4634762 0.91 CDK2 (0.43) CTSCMEN1KMT2ACTSLCDK2
SCHEMBL4633717 0.91 HDAC3 (0.44) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL4633755 0.91 ITGB2 (0.43) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL4632734 0.91 ACACB (0.42) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL4733892 0.90 HDAC3 (0.40) CTSCMEN1KMT2ACTSLHDAC3

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 8 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
WO-2008071453-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO 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 CTSC 353/4885MEN1 188/4885KMT2A 715/4885

“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.