SCHEMBL1027483

SCHEMBL1027483

CCOC(=O)CN(CC(=O)OCC)c1cc2c(cc1OC)CCCC2=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B1 P14061 1/20 0.43
BRD4 O60885 1/20 0.38
KCNK3 O14649 1/20 0.38
BAZ2B Q9UIF8 1/20 0.36
NLRP3 Q96P20 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1027481 0.85 HSD17B1 (0.43) KDM4EALDH1A1KMT2AHSD17B1BAZ2B
SCHEMBL1027471 0.77 BRD4 (0.47) KDM4EALDH1A1KMT2AHSD17B1BRD4
SCHEMBL1027458 0.74 AHCY (0.42) ALDH1A1KMT2AHSD17B1TSHRLMNA
SCHEMBL424613 0.72 HSD17B1 (0.54) KDM4EALDH1A1KMT2AHSD17B1HSD17B10
SCHEMBL1027379 0.71 BAZ2B (0.42) KMT2AHSD17B1BAZ2BMAPK1
SCHEMBL1807630 0.71 HSD17B1 (0.50) KDM4EALDH1A1KMT2AHSD17B1BRD4
SCHEMBL661560 0.70 ACHE (0.54) KMT2AHSD17B1MAPK1
SCHEMBL9621080 0.69 KMT2A (0.53) KDM4EALDH1A1KMT2AHSD17B1HSD17B10
SCHEMBL9621112 0.69 KMT2A (0.53) KDM4EALDH1A1KMT2AHSD17B1HSD17B10
SCHEMBL4553004 0.68 BRD4 (0.64) KDM4EALDH1A1KMT2ABRD4KCNK3

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
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 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 (2 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 KDM4E 3723/4885ALDH1A1 180/4885KMT2A 2852/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 KDM4E 2360/4885ALDH1A1 600/4885KMT2A 1006/4885

“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.