SCHEMBL4737839

SCHEMBL4737839

CCOC(=O)CCCCNC(=O)c1cccc(C#Cc2ccc(OC(C)C)c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
EPHX2 P34913 1/20 0.44
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE5A O76074 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC3 O15379 8/20 0.39
HDAC1 Q13547 8/20 0.39
HDAC2 Q92769 8/20 0.39
HDAC4 P56524 5/20 0.39
HDAC7 Q8WUI4 5/20 0.39
HDAC10 Q969S8 5/20 0.39
HDAC11 Q96DB2 5/20 0.39
HDAC8 Q9BY41 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39

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
SCHEMBL4738871 0.95 CYP2D6 (0.42) ALOX5EPHX2CYP2D6CYP1A2CYP3A4
SCHEMBL14079283 0.91 CDK4 (0.45) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4737561 0.90 ALOX5 (0.48) ALOX5EPHX2MEN1KMT2AHDAC3
SCHEMBL4736430 0.89 ALOX5 (0.47) ALOX5EPHX2MEN1KMT2AHDAC3
SCHEMBL4632726 0.88 ALOX5 (0.46) ALOX5EPHX2SMN1; SMN2MEN1KMT2A
SCHEMBL4737571 0.88 MEN1 (0.44) ALOX5EPHX2MEN1KMT2AHDAC3
SCHEMBL14078737 0.87 CDK4 (0.45) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4737692 0.86 MEN1 (0.46) ALOX5EPHX2MEN1KMT2AHDAC3
SCHEMBL4733974 0.86 ALOX5 (0.49) ALOX5EPHX2MEN1KMT2AHDAC3
SCHEMBL14069723 0.86 ALOX5 (0.45) ALOX5EPHX2MEN1KMT2AHDAC3

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 5 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
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

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 ALOX5 911/4885EPHX2 3114/4885CYP2D6 328/4885

“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.