SCHEMBL305022

SCHEMBL305022

O=C1CCC(CC(=O)OCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CDC25B P30305 1/20 0.43
GAA P10253 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
NOTUM Q6P988 1/20 0.41

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
SCHEMBL20234917 0.91 CYP2C19 (0.53) GLAALDH1A1MAPK1L3MBTL1CYP2C19
SCHEMBL4143101 0.89 ALDH1A1 (0.59) GLAALDH1A1MAPK1L3MBTL1CYP2C19
SCHEMBL305021 0.86 ALDH1A1 (0.56) GLAALDH1A1MAPK1L3MBTL1KMT2A
Ethylene SCHEMBL305378 0.86 CYP3A4 (0.41) GLAALDH1A1MAPK1L3MBTL1CYP2C19
SCHEMBL10000009 0.85 GLA (0.47) GLAALDH1A1MAPK1L3MBTL1CYP2C19
SCHEMBL304920 0.84 NPC1 (0.55) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL306316 0.83 ALDH1A1 (0.53) GLAALDH1A1MAPK1L3MBTL1CYP2C19
SCHEMBL306269 0.83 ALDH1A1 (0.53) GLAALDH1A1MAPK1L3MBTL1CYP2C19
SCHEMBL9295067 0.83 ALDH1A1 (0.53) GLAALDH1A1MAPK1L3MBTL1CYP2C19
SCHEMBL306270 0.83 ALDH1A1 (0.53) GLAALDH1A1MAPK1L3MBTL1CYP2C19

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125985-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ARBUTUS BIOPHARMA CORPORATION (CA) 2018-05-10 US disclosed
US-9951010-B2 Compounds as CRTH2 antagonist and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-04-24 US disclosed
US-20180064807-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ARBUTUS BIOPHARMA CORPORATION (CA) 2018-03-08 US disclosed
US-20170267634-A1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-09-21 US disclosed
US-9764036-B2 Lipids and compositions for the delivery of therapeutics ARBUTUS BIOPHARMA CORPORATION (CA) 2017-09-19 US disclosed
US-20160213785-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS TEKMIRA PHARMACEUTICALS CORPORATION (CA) 2016-07-28 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
US-9220683-B2 Lipids and compositions for the delivery of therapeutics TEKMIRA PHARMACEUTICALS CORPORATION (CA) 2015-12-29 US disclosed
US-9115079-B2 NDM inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-25 US disclosed
US-8110678-B2 Antibiotic-bound poly(caprolactone) polymer UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 US disclosed
US-8110678-B2 Antibiotic-bound poly(caprolactone) polymer UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 US disclosed
US-20120027796-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-02 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
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
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 US disclosed
WO-2007133706-A2 ANTIBIOTIC-BOUND POLY (CAPROLACTONE) POLYMER UNIVERSITY OF SOUTH FLORIDA (US) 2007-11-22 WO disclosed
US-20070265243-A1 Antibiotic-Bound Poly(Caprolactone) Polymer UNIVERSITY OF SOUTH FLORIDA (US) 2007-11-15 US disclosed
US-20070265243-A1 Antibiotic-Bound Poly(Caprolactone) Polymer UNIVERSITY OF SOUTH FLORIDA (US) 2007-11-15 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 (8 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-20180125985-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 GLA 2809/4885ALDH1A1 3880/4885MAPK1 4746/4885
US-20160213785-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 GLA 2809/4885ALDH1A1 3880/4885MAPK1 4746/4885
US-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA GLA 8/4885ALDH1A1 372/4885MAPK1 2838/4885
US-20070265243-A1 Antibiotic-Bound Poly(Caprolactone) Polymer CAPG, PGLS, GNE GLA 147/4885ALDH1A1 2039/4885MAPK1 4541/4885
US-20180064807-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 GLA 2865/4885ALDH1A1 3847/4885MAPK1 4766/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA GLA 13/4885ALDH1A1 461/4885MAPK1 2855/4885
US-20170267634-A1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF HRH2, PTGDR2, HRH1 GLA 1023/4885ALDH1A1 1226/4885MAPK1 1041/4885
US-20120027796-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, ABCB4, LCAT GLA 1525/4885ALDH1A1 4201/4885MAPK1 4614/4885

“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.