SCHEMBL1026229

SCHEMBL1026229

CCOC(=O)CN(CC(=O)OCC)c1cc2c(cc1C)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL1026099 0.82 KEAP1 (0.40) LMNANPC1RAB9ACYP3A4CYP1A2
SCHEMBL16398988 0.79 RAB9A (0.52) NPC1RAB9ACYP3A4CYP1A2CYP2D6
SCHEMBL1025885 0.71 KDM1A (0.35) LMNATDP1ALDH1A1KDM4ETSHR
SCHEMBL1027471 0.71 BRD4 (0.47) TDP1HTTALDH1A1KDM4EHPGD
SCHEMBL6592611 0.71 HPGD (0.60) NPC1RAB9ACYP3A4CYP1A2CYP2D6
SCHEMBL11695937 0.71 ALDH1A1 (0.54) LMNATDP1NPC1RAB9ACYP3A4
SCHEMBL1027353 0.71 PPARG (0.36) TDP1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL1025911 0.71 NPSR1 (0.41) LMNATDP1CYP1A2CYP2C9CYP2C19
SCHEMBL1025754 0.71 ALDH1A1 (0.38) TDP1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL16410098 0.70 NPC1 (0.54) LMNANPC1RAB9AALDH1A1MAPT

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 LMNA 3028/4885TDP1 4245/4885NPC1 450/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 LMNA 2551/4885TDP1 744/4885NPC1 1230/4885

“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.