SCHEMBL14079283

SCHEMBL14079283

CCOC(=O)CCCCNC(=O)c1cccc(-c2ccc(OC(C)C)c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.45
CCND1 P24385 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDE5A O76074 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
HDAC3 O15379 5/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC2 Q92769 5/20 0.41
NCOR2 Q9Y618 3/20 0.40
TACR1 P25103 2/20 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
SCHEMBL14078737 0.95 CDK4 (0.45) CDK4CCND1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL4737839 0.91 ALOX5 (0.44) CDK4CCND1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL14078362 0.90 CDK4 (0.50) CDK4CCND1SMN1; SMN2MEN1KMT2A
SCHEMBL14078774 0.89 CDK4 (0.49) CDK4CCND1SMN1; SMN2MEN1KMT2A
SCHEMBL4738871 0.88 CYP2D6 (0.42) CDK4CCND1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL14078758 0.86 CDK4 (0.47) CDK4CCND1MEN1KMT2AHDAC3
SCHEMBL14078438 0.86 CDK4 (0.49) CDK4CCND1SMN1; SMN2MEN1KMT2A
SCHEMBL14079246 0.85 CDK4 (0.46) CDK4CCND1SMN1; SMN2MEN1KMT2A
SCHEMBL14079284 0.85 CDK4 (0.47) CDK4CCND1MEN1KMT2AHDAC3
SCHEMBL14078441 0.85 CDK4 (0.48) CDK4CCND1MEN1KMT2AHDAC3

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 1 patent. 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

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 CDK4 3792/4885CCND1 443/4885SMN1; SMN2 3600/4885

“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.