SCHEMBL1025939

SCHEMBL1025939

CCOC(=O)CN(CC(=O)OCC)c1cc(C(=O)OC(C)(C)C)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
CA14 Q9ULX7 3/20 0.38
CA7 P43166 2/20 0.38
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
SLC7A5 Q01650 1/20 0.36
HSD17B2 P37059 1/20 0.35
CYP2C9 P11712 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL1024093 0.90 CA12 (0.38) ALDH1A1CA12CA1CA2CA9
SCHEMBL1026653 0.88 ALDH1A1 (0.52) ALDH1A1CA12CA1CA2CA9
SCHEMBL1027896 0.88 ALDH1A1 (0.40) ALDH1A1CA12CA1CA2CA9
SCHEMBL1029069 0.85 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL1025871 0.82 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL1027895 0.82 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL1025928 0.82 ALDH1A1 (0.38) ALDH1A1CA12CA1CA2CA9
SCHEMBL1025793 0.81 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL1029808 0.81 ALDH1A1 (0.37) ALDH1A1LMNA
SCHEMBL1028540 0.79 CYP4F2 (0.44) ALDH1A1

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 ALDH1A1 180/4885CA12 799/4885CA1 211/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ALDH1A1 600/4885CA12 3988/4885CA1 1715/4885

“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.