SCHEMBL304920

SCHEMBL304920

O=C(CC1CCCCC1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 1/20 0.54
EPHX2 P34913 2/20 0.52
GLA P06280 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
EPHX1 P07099 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL305021 0.98 ALDH1A1 (0.56) NPC1RAB9AALDH1A1L3MBTL1MAPK1
SCHEMBL4143101 0.92 ALDH1A1 (0.59) NPC1RAB9AALDH1A1L3MBTL1MAPK1
SCHEMBL22201808 0.88 ALDH1A1 (0.49) NPC1RAB9AALDH1A1L3MBTL1MAPK1
SCHEMBL26354869 0.87 ALDH1A1 (0.45) NPC1RAB9AALDH1A1L3MBTL1MAPK1
SCHEMBL27622475 0.87 TDP1 (0.51) NPC1RAB9AALDH1A1L3MBTL1MAPK1
SCHEMBL2479951 0.87 NPC1 (0.49) NPC1RAB9AALDH1A1L3MBTL1MAPK1
SCHEMBL306269 0.86 ALDH1A1 (0.53) NPC1RAB9AALDH1A1L3MBTL1MAPK1
SCHEMBL306316 0.86 ALDH1A1 (0.53) NPC1RAB9AALDH1A1L3MBTL1MAPK1
SCHEMBL9295067 0.86 ALDH1A1 (0.53) NPC1RAB9AALDH1A1L3MBTL1MAPK1
SCHEMBL306270 0.86 ALDH1A1 (0.53) NPC1RAB9AALDH1A1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 US disclosed
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
CN-102964239-B metal-beta-lactamase inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-01-20 CN disclosed
CN-101267815-B metallo-beta-lactamase inhibitors MEIJI SEIKA PHARMA CO LTD 2013-11-06 CN disclosed
CN-102964239-A Metallo-beta-lactamase inhibitor MEIJI SEIKA KAISHA 2013-03-13 CN disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US disclosed
US-8093294-B2 Bacterial infections; effective for recovering the activities of beta-lactam antibiotics; 2-ethyl-3-methylmaleic acid dimethyl ester; maleic acid derivatives and/or dihydrofuranyl derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2012-01-10 US disclosed
WO-2011047190-A1 GAMMA AMINO ACID BUILDING BLOCKS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-04-21 WO disclosed
CN-101267815-A metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA (JP) 2008-09-17 CN disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 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 (5 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA NPC1 2815/4885RAB9A 2261/4885ALDH1A1 372/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA NPC1 2815/4885RAB9A 2261/4885ALDH1A1 372/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 NPC1 796/4885RAB9A 3324/4885ALDH1A1 887/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 NPC1 796/4885RAB9A 3324/4885ALDH1A1 887/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA NPC1 2708/4885RAB9A 2123/4885ALDH1A1 461/4885

“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.