SCHEMBL4737824

SCHEMBL4737824

COc1ccccc1C#Cc1ccc(OC(C)C)c(C(=O)NC(Cc2c[nH]c3ccccc23)C(C)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.43
ICAM1 P05362 2/20 0.43
ITGAL P20701 2/20 0.43
KMT2A Q03164 9/20 0.43
MEN1 O00255 6/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL4737827 1.00 ITGB2 (0.43) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL14069910 1.00 ITGB2 (0.43) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL4737837 1.00 ITGB2 (0.43) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL14069922 0.91 MMP9 (0.47) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL4927833 0.91 MMP9 (0.47) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL4737315 0.91 MMP9 (0.47) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL4737317 0.91 MMP9 (0.47) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL4634672 0.89 KMT2A (0.55) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL4632690 0.89 HDAC3 (0.44) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL4633717 0.89 HDAC3 (0.44) ITGB2ICAM1ITGALKMT2AMEN1

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 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

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 ITGB2 3888/4885ICAM1 3577/4885ITGAL 4020/4885

“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.