SCHEMBL2138586

SCHEMBL2138586

COc1ccc(C(CC(=O)c2ccccc2)C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.71
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
PDPK1 O15530 3/20 0.58
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
MGAM O43451 1/20 0.54
GAA P10253 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
NPSR1 Q6W5P4 2/20 0.50
PAX8 Q06710 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL2140616 0.94 PDPK1 (0.67) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7108403 0.89 L3MBTL1 (0.68) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2140367 0.87 L3MBTL1 (0.55) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2225839 0.84 L3MBTL1 (0.53) L3MBTL1ALDH1A1TDP1PLA2G1BATG4B
SCHEMBL2141566 0.84 PDPK1 (0.78) L3MBTL1NPC1ALDH1A1SMN1; SMN2TDP1
SCHEMBL9148324 0.84 L3MBTL1 (0.73) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL657537 0.82 PDPK1 (0.56) L3MBTL1ALDH1A1PDPK1MGAMGAA
SCHEMBL26820557 0.82 L3MBTL1 (0.75) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL26820571 0.82 L3MBTL1 (0.75) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11753920 0.81 L3MBTL1 (0.61) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2

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-2258477-B1 CATALYST AND MICHAEL ADDITION REACTION PROCESS JAPAN SCIENCE & TECH AGENCY (JP) 2015-03-25 EP disclosed
US-8222177-B2 Catalyst and reaction process JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-07-17 US disclosed
US-20110054190-A1 CATALYST AND REACTION PROCESS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-03 US disclosed
EP-2258477-A1 CATALYST AND REACTION PROCESS Japan Science and Technology Agency (JP) 2010-12-08 EP disclosed
WO-2009096409-A1 CATALYST AND REACTION PROCESS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-08-06 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-20110054190-A1 CATALYST AND REACTION PROCESS ME1, MAL2, ME2 L3MBTL1 2658/4885NPC1 4730/4885RAB9A 293/4885

“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.