SCHEMBL4736044

SCHEMBL4736044

CC(C)Oc1ccc(C#Cc2ccc3cc[nH]c3c2)cc1C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TACR1 P25103 1/20 0.40
CFTR P13569 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRA6 Q16445 1/20 0.40
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

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
SCHEMBL4737989 0.94 MEN1 (0.40) MEN1KMT2ATACR1CFTRHDAC3
SCHEMBL4633756 0.91 MEN1 (0.43) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL4634196 0.90 TACR1 (0.48) MEN1KMT2ATACR1MMP2MMP9
SCHEMBL13945806 0.90 MMP9 (0.47) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL4633723 0.90 MAPT (0.44) MEN1KMT2ATACR1HDAC3HDAC4
SCHEMBL4632694 0.89 HDAC3 (0.42) MEN1KMT2ATACR1HDAC3HDAC4
SCHEMBL4634227 0.89 TACR1 (0.44) MEN1KMT2ATACR1HDAC3HDAC4
SCHEMBL4737003 0.89 KMT2A (0.49) MEN1KMT2ATACR1HDAC3HDAC4
SCHEMBL4633720 0.88 ITGB2 (0.49) MEN1KMT2ATACR1HDAC3HDAC4
SCHEMBL4738214 0.88 MAPT (0.47) MEN1KMT2AHDAC3HDAC4HDAC1

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-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
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

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 ACACB 2597/4885MEN1 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.