SCHEMBL4633751

SCHEMBL4633751

C#Cc1ccc(OC(C)C)c(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC3 O15379 6/20 0.43
HDAC4 P56524 6/20 0.43
HDAC1 Q13547 6/20 0.43
HDAC7 Q8WUI4 6/20 0.43
HDAC2 Q92769 6/20 0.43
HDAC10 Q969S8 6/20 0.43
HDAC11 Q96DB2 6/20 0.43
HDAC8 Q9BY41 6/20 0.43
HDAC6 Q9UBN7 6/20 0.43
HDAC9 Q9UKV0 6/20 0.43
HDAC5 Q9UQL6 6/20 0.43
ITGB2 P05107 4/20 0.42
ICAM1 P05362 4/20 0.42
ITGAL P20701 4/20 0.42
POLB P06746 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4666633 1.00 ECE1 (0.45) ECE1MEN1KMT2AHDAC3HDAC4
SCHEMBL4734804 0.95 HDAC3 (0.42) ECE1MEN1KMT2AHDAC3HDAC4
SCHEMBL3943481 0.91 MEN1 (0.43) ECE1MEN1KMT2AHDAC3HDAC4
SCHEMBL13945806 0.90 MMP9 (0.47) ECE1MEN1KMT2AHDAC3HDAC4
SCHEMBL4632709 0.89 HDAC3 (0.45) ECE1MEN1KMT2AHDAC3HDAC4
SCHEMBL4634196 0.89 TACR1 (0.48) MEN1KMT2AMAPTKDM4ETACR1
SCHEMBL4634227 0.89 TACR1 (0.44) ECE1MEN1KMT2AHDAC3HDAC4
SCHEMBL4737003 0.89 KMT2A (0.49) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL4633756 0.88 MEN1 (0.43) ECE1MEN1KMT2AHDAC3HDAC4
SCHEMBL4738214 0.88 MAPT (0.47) ECE1MEN1KMT2AHDAC3HDAC4

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
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
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 ECE1 1027/4885MEN1 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.