SCHEMBL4633736

SCHEMBL4633736

CCOC(=O)C(Cc1c[nH]c2cc(F)c(F)cc12)NC(=O)c1cc(C#Cc2ccccc2OC)ccc1OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KMT2A Q03164 3/20 0.42
THRB P10828 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
ITGB2 P05107 3/20 0.40
ICAM1 P05362 3/20 0.40
ITGAL P20701 3/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
SCN9A Q15858 1/20 0.38
TACR1 P25103 5/20 0.38
P2RY12 Q9H244 1/20 0.38

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
SCHEMBL4633689 0.87 HDAC3 (0.36) MAPTKMT2ATHRBHPGDMEN1
SCHEMBL4633691 0.87 HDAC3 (0.36) MAPTKMT2ATHRBHPGDMEN1
SCHEMBL4634672 0.86 KMT2A (0.55) MAPTKMT2ATHRBHPGDMEN1
SCHEMBL4740760 0.84 ITGB2 (0.39) KMT2AMEN1ALDH1A1ITGB2ICAM1
SCHEMBL14069746 0.80 ITGB2 (0.40) MAPTKMT2ATHRBHPGDMEN1
SCHEMBL4734663 0.80 ITGB2 (0.40) MAPTKMT2ATHRBHPGDMEN1
SCHEMBL4633716 0.80 ITGB2 (0.40) MAPTKMT2ATHRBHPGDMEN1
SCHEMBL14069911 0.80 ITGB2 (0.40) MAPTKMT2ATHRBHPGDMEN1
SCHEMBL4737837 0.79 ITGB2 (0.43) MAPTKMT2ATHRBHPGDMEN1
SCHEMBL14069910 0.79 ITGB2 (0.43) MAPTKMT2ATHRBHPGDMEN1

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 MAPT 4236/4885KMT2A 715/4885THRB 344/4885

“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.