SCHEMBL14079246

SCHEMBL14079246

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.46
CCND1 P24385 2/20 0.46
GPR84 Q9NQS5 2/20 0.46
HPGDS O60760 1/20 0.45
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
ITGB2 P05107 2/20 0.42
ICAM1 P05362 2/20 0.42
ITGAL P20701 2/20 0.42
TACR1 P25103 3/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 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
SCHEMBL14078750 0.94 HPGDS (0.47) CDK4CCND1GPR84HPGDSMAPT
SCHEMBL14079253 0.92 CDK4 (0.47) CDK4CCND1HPGDSMAPTHPGD
SCHEMBL14159236 0.92 HPGDS (0.45) CDK4CCND1HPGDSMAPTHPGD
SCHEMBL14078362 0.90 CDK4 (0.50) CDK4CCND1HPGDSMAPTHPGD
SCHEMBL5149268 0.90 CDK4 (0.46) CDK4CCND1GPR84HPGDSMAPT
SCHEMBL14079259 0.90 HPGDS (0.54) HPGDSMAPTHPGDMEN1KMT2A
SCHEMBL14078717 0.90 MAPT (0.47) CDK4CCND1HPGDSMAPTHPGD
SCHEMBL14078746 0.90 MEN1 (0.41) CDK4CCND1GPR84HPGDSMAPT
SCHEMBL14079269 0.89 MAPT (0.44) HPGDSMAPTHPGDMEN1KMT2A
SCHEMBL14078774 0.89 CDK4 (0.49) CDK4CCND1HPGDSMAPTHPGD

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 2 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
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 CDK4 3792/4885CCND1 443/4885GPR84 323/4885

“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.