SCHEMBL4634672

SCHEMBL4634672

COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(C#Cc2ccccc2OC)ccc1OC(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
MAPT P10636 4/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 1/20 0.55
THRB P10828 1/20 0.55
HCRTR1 O43613 1/20 0.51
KCNA5 P22460 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
TACR1 P25103 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL4737837 0.89 ITGB2 (0.43) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL4737827 0.89 ITGB2 (0.43) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL14069910 0.89 ITGB2 (0.43) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL4737824 0.89 ITGB2 (0.43) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL4633717 0.89 HDAC3 (0.44) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL4632690 0.89 HDAC3 (0.44) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL4667276 0.87 HDAC3 (0.43) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL4632722 0.87 ITGB2 (0.41) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL4633736 0.86 MAPT (0.42) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL14162030 0.83 HDAC3 (0.41) KMT2AMEN1MAPTHPGDALDH1A1

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 3 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 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 KMT2A 715/4885MEN1 188/4885MAPT 4236/4885

“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.