SCHEMBL2710286

SCHEMBL2710286

CCC(C)OC(=O)CCC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
LMNA P02545 3/20 0.39
EPHX2 P34913 1/20 0.39
SLC15A2 Q16348 1/20 0.37
TSHR P16473 3/20 0.33
MAPT P10636 3/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL645070 0.91 CA12 (0.45) ALDH1A1CA12CA1CA2CA3
SCHEMBL31453789 0.83 LMNA (0.41) ALDH1A1CA12CA1CA2CA3
SCHEMBL4567081 0.83 ALDH1A1 (0.43) ALDH1A1LMNASLC15A2TSHRMAPT
SCHEMBL19821825 0.83 TSHR (0.56) ALDH1A1CA12CA1CA2CA3
SCHEMBL644570 0.83 EGLN1 (0.43) ALDH1A1CA12CA1CA2CA3
SCHEMBL1585214 0.82 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA3
SCHEMBL6231000 0.82 LMNA (0.52) ALDH1A1CA12CA1CA2CA3
SCHEMBL2980900 0.82 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA3
SCHEMBL10554751 0.82 LMNA (0.57) ALDH1A1CA12CA1CA2CA3
SCHEMBL2989645 0.82 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113767097-B Prodrugs of caspase inhibitors 株式会社LG化学 2025-03-14 CN claimed
CN-111171884-A Valerate gasoline mixed fuel 中国科学院兰州化学物理研究所 2020-05-19 CN claimed
CN-111171883-A Valerate diesel oil mixed fuel 中国科学院兰州化学物理研究所 2020-05-19 CN claimed
US-20150203435-A1 METHOD FOR PREPARING LEVULINIC ACID ESTERS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-07-23 US claimed
CN-113767097-B Prodrugs of caspase inhibitors 株式会社LG化学 2025-03-14 CN disclosed
WO-2020142273-A1 COMPOSITIONS AND METHODS FOR REMOVING COATINGS FROM SURFACES FOURTH PRINCIPLE, LLC (US) 2020-07-09 WO disclosed
CN-111171883-A Valerate diesel oil mixed fuel 中国科学院兰州化学物理研究所 2020-05-19 CN disclosed
CN-111171884-A Valerate gasoline mixed fuel 中国科学院兰州化学物理研究所 2020-05-19 CN disclosed
EP-2867197-B1 METHOD FOR PREPARING LEVULINIC ACID ESTERS CENTRE NAT RECH SCIENT (FR) 2018-09-19 EP disclosed
US-9464025-B2 Method for preparing levulinic acid esters CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2016-10-11 US disclosed
US-20150203435-A1 METHOD FOR PREPARING LEVULINIC ACID ESTERS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-07-23 US disclosed
EP-2867197-A1 METHOD FOR PREPARING LEVULINIC ACID ESTERS Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2015-05-06 EP disclosed
WO-2014001486-A1 METHOD FOR PREPARING LEVULINIC ACID ESTERS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2014-01-03 WO disclosed
US-8389749-B2 Method to produce, recover and convert furan derivatives from aqueous solutions using alkylphenol extraction WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-03-05 US disclosed
US-20120302765-A1 METHOD TO PRODUCE, RECOVER AND CONVERT FURAN DERIVATIVES FROM AQUEOUS SOLUTIONS USING ALKYLPHENOL EXTRACTION WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-11-29 US disclosed
EP-1651740-B1 GASOLINE COMPOSITIONS SHELL INT RESEARCH (NL) 2012-05-02 EP disclosed
EP-1651740-A1 GASOLINE COMPOSITIONS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2006-05-03 EP disclosed
WO-2005014759-A1 GASOLINE COMPOSITIONS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2005-02-17 WO disclosed
US-20050016058-A1 Gasoline compositions SHELL OIL COMPANY 2005-01-27 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 (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-20150203435-A1 METHOD FOR PREPARING LEVULINIC ACID ESTERS SORD, CYP51A1, ELOVL1 ALDH1A1 589/4885CA12 605/4885CA1 124/4885
US-20120302765-A1 METHOD TO PRODUCE, RECOVER AND CONVERT FURAN DERIVATIVES FROM AQUEOUS SOLUTIONS USING ALKYLPHENOL EXTRACTION GRHPR, FDPS, ADH1C ALDH1A1 317/4885CA12 3575/4885CA1 2271/4885

“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.