SCHEMBL4634196

SCHEMBL4634196

Cc1cc(C)cc(C#Cc2ccc(OC(C)C)c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.48
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
P2RY14 Q15391 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL4633723 0.94 MAPT (0.44) TACR1MMP2MMP9P2RY14MEN1
SCHEMBL4633706 0.94 TACR1 (0.44) TACR1MMP2MMP9P2RY14MEN1
SCHEMBL14161919 0.94 TACR1 (0.44) TACR1MMP2MMP9P2RY14MEN1
SCHEMBL4634227 0.93 TACR1 (0.44) TACR1MMP2MMP9MEN1KMT2A
SCHEMBL13945806 0.93 MMP9 (0.47) MMP2MMP9P2RY14MEN1KMT2A
SCHEMBL14161994 0.92 ITGB2 (0.45) TACR1MMP2MMP9MEN1KMT2A
SCHEMBL4632692 0.92 ITGB2 (0.44) MEN1KMT2AMAPTTHRBSMN1; SMN2
SCHEMBL4632740 0.92 ITGB2 (0.46) TACR1MEN1KMT2AMAPTHPGD
SCHEMBL4737003 0.92 KMT2A (0.49) TACR1MMP2MMP9MEN1KMT2A
SCHEMBL4633411 0.91 HDAC3 (0.43) TACR1MMP2MMP9P2RY14MEN1

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
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
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 TACR1 179/4885MMP2 4314/4885MMP9 3664/4885

“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.