SCHEMBL15526488

SCHEMBL15526488

COC(=O)c1cc(C)c(-c2ccc(OC)nc2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2A6 P11509 1/20 0.48
NNMT P40261 2/20 0.45
RCE1 Q9Y256 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PABPC1 P11940 1/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
PIK3CA P42336 2/20 0.42
PIK3CG P48736 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 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
SCHEMBL2945799 0.80 MKNK1 (0.71) MKNK1MKNK2KDM4EALDH1A1CYP2A6
SCHEMBL7229408 0.78 MKNK1 (0.52) MKNK1MKNK2KDM4EALDH1A1CYP2A6
SCHEMBL18755203 0.77 CYP2A6 (0.50) MKNK1MKNK2CYP2A6NNMTHSD17B1
SCHEMBL7224515 0.77 MKNK1 (0.55) MKNK1MKNK2CYP2A6NNMTRCE1
SCHEMBL65277 0.76 NNMT (0.68) MKNK1MKNK2KDM4EALDH1A1NNMT
SCHEMBL15526455 0.75 GABRA5 (0.40) KDM4EALDH1A1CYP2A6MEN1KMT2A
SCHEMBL16056270 0.74 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2A
SCHEMBL10832764 0.74 CA1 (0.58) KDM4EALDH1A1MEN1KMT2A
SCHEMBL18755011 0.71 CYP2A6 (0.44) MKNK1MKNK2CYP2A6NNMTHSD17B1
SCHEMBL3101392 0.71 HDAC6 (0.52) MKNK1MKNK2KDM4EALDH1A1CYP2A6

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
EP-2844252-B1 CYCLIC AMINE SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-11-30 EP disclosed
US-9353101-B2 Cyclic amine substituted heterocyclic CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-20150111866-A1 CYCLIC AMINE SUBSTITUTED HETEROCYCLIC CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-23 US disclosed
EP-2844252-A1 CYCLIC AMINE SUBSTITUTED HETEROCYCLIC CETP INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-03-11 EP disclosed
WO-2013165854-A1 CYCLIC AMINE SUBSTITUTED HETEROCYCLIC CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-11-07 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-20150111866-A1 CYCLIC AMINE SUBSTITUTED HETEROCYCLIC CETP INHIBITORS CETP, APOB, MTTP MKNK1 3801/4885MKNK2 3926/4885KDM4E 1726/4885

“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.