SCHEMBL13028013

SCHEMBL13028013

COC(=O)c1cc(OC)c(OC(F)F)cc1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.56
POLB P06746 3/20 0.47
STING1 Q86WV6 1/20 0.46
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 5/20 0.44
GAA P10253 4/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
GLA P06280 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
SCHEMBL13961995 0.91 KDM4E (0.47) KDM4EPOLBSTING1ALDH1A1HSD17B10
SCHEMBL31716930 0.89 KDM4E (0.76) KDM4EPOLBSTING1ALDH1A1HSD17B10
SCHEMBL7378524 0.84 KDM4E (0.73) KDM4EPOLBALDH1A1HSD17B10GAA
SCHEMBL31716990 0.84 POLB (0.54) KDM4EPOLBALDH1A1GAAHPGD
SCHEMBL72129 0.79 KDM4E (0.38) KDM4EPOLBSTING1ALDH1A1HSD17B10
SCHEMBL22954276 0.78 MAPT (0.64) KDM4EPOLBALDH1A1GAAMAPT
SCHEMBL3738587 0.78 MAPT (0.64) KDM4EPOLBGAAMAPTKMT2A
SCHEMBL23525842 0.77 KDM4E (0.63) KDM4EPOLBALDH1A1HSD17B10GAA
SCHEMBL28719929 0.77 KDM4E (0.63) KDM4EPOLBALDH1A1HSD17B10GAA
SCHEMBL20772341 0.77 NR1I2 (0.40) KDM4EPOLBALDH1A1HSD17B10HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293747-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-10-23 US disclosed
US-8293747-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-10-23 US disclosed
US-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-11-11 US disclosed
US-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-11-11 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-20100286135-A1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS MTOR, CDK1, MAP3K8 KDM4E 1566/4885POLB 1572/4885STING1 2005/4885

“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.