SCHEMBL1506543

SCHEMBL1506543

COC(=O)c1cc2c(cc1N)CCC2=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 5/20 0.49
GAA P10253 5/20 0.45
HSD17B10 Q99714 4/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
GLA P06280 2/20 0.45
ATM Q13315 1/20 0.45
CFTR P13569 7/20 0.44
ABL1 P00519 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
PBRM1 Q86U86 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL25227132 0.94 KDM4E (0.50) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL31006898 0.85 KDM4E (0.47) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL25229364 0.85 KDM4E (0.47) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL26984755 0.81 HSD17B1 (0.40) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL1506470 0.81 PBRM1 (0.38) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL3971100 0.81 GAA (0.45) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL21468462 0.79 KDM4E (0.54) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL4817740 0.78 GAA (0.45) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL15690534 0.78 HSD17B1 (0.40) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL2478058 0.77 KDM4E (0.56) KDM4EALDH1A1GAAHSD17B10MAPT

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-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
EP-1971595-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-09-24 EP disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP KDM4E 2213/4885ALDH1A1 3603/4885GAA 1668/4885

“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.