SCHEMBL229656

SCHEMBL229656

CCCCCC(=O)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)CCCCC

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.58
NAAA Q02083 2/20 0.51
PRKCA P17252 6/20 0.51

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
SCHEMBL16681103 1.00 BCHE (0.58) BCHENAAAPRKCA
SCHEMBL20213354 0.98 BCHE (0.56) BCHENAAAPRKCA
SCHEMBL230317 0.98 BCHE (0.56) BCHENAAAPRKCA
SCHEMBL15073363 0.98 BCHE (0.56) BCHENAAAPRKCA
SCHEMBL15073362 0.98 BCHE (0.56) BCHENAAAPRKCA
SCHEMBL7000758 0.98 BCHE (0.56) BCHENAAAPRKCA
SCHEMBL2320043 0.98 BCHE (0.60) BCHENAAAPRKCA
SCHEMBL16752819 0.98 BCHE (0.56) BCHENAAAPRKCA
SCHEMBL16681731 0.98 BCHE (0.56) BCHENAAAPRKCA
SCHEMBL16681688 0.98 BCHE (0.56) BCHENAAAPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117965054-A High-adhesion PCB (printed circuit board) ink based on modified epoxy acrylate and preparation method thereof 安徽泰戈新材料有限公司 2024-05-03 CN claimed
EP-2531565-B1 DIANHYDROHEXITOL DIESTER COALESCING AGENT ELEMENTIS SPECIALTIES INC (US) 2018-01-03 EP claimed
EP-2588073-B1 COSMETIC COMPOSITION FOR THE NAILS AND USE OF AN ISOSORBIDE DERIVATIVE FIABILA (FR) 2017-06-14 EP claimed
US-9180317-B2 Cosmetic composition for nails and the use of an isosorbide derivative FIABILA (FR) 2015-11-10 US claimed
EP-2531565-A1 DIANHYDROHEXITOL DIESTER COALESCING AGENT Elementis Specialties, Inc. (US) 2012-12-12 EP claimed
US-20120003166-A1 COSMETIC COMPOSITION FOR NAILS AND THE USE OF AN ISOSORBIDE DERIVATIVE FIABILA (FR) 2012-01-05 US claimed
WO-2011097443-A1 DIANHYDROHEXITOL DIESTER COALESCING AGENT ELEMENTIS SPECIALTIES,INC (US) 2011-08-11 WO claimed
CN-117965054-A High-adhesion PCB (printed circuit board) ink based on modified epoxy acrylate and preparation method thereof 安徽泰戈新材料有限公司 2024-05-03 CN disclosed
CN-112745328-B Method for synthesizing isohexide ester 中国科学院大连化学物理研究所 2022-05-06 CN disclosed
CN-112745328-A Method for synthesizing isohexide ester 中国科学院大连化学物理研究所 2021-05-04 CN disclosed
US-10640626-B2 Compositions of mixed diesters of 1,4: 3,6-dianhydrohexitol ROQUETTE FRERES (FR) 2020-05-05 US disclosed
US-10179847-B2 Liquid plasticising composition ROQUETTE FRERES (FR) 2019-01-15 US disclosed
US-10113053-B2 Isosorbide epoxide diesters, and the use thereof as a plasticizer in PVC compositions ROQUETTE FRERES (FR) 2018-10-30 US disclosed
US-20090301348-A1 MIXTURE OF DIESTERS OF DIANHYDROHEXITOL DERIVATIVES WITH CARBOXYLIC ACIDS OF THE EMPIRICAL FORMULA C8H17COOH, PROCESS FOR PREPARING THESE DIESTERS, AND USE OF THESE MIXTURES EVONIK OXENO GMBH (DE) 2009-12-10 US disclosed
EP-2114952-A1 MIXTURE OF DIESTERS OF DIANHYDROHEXITOL DERIVATIVES WITH CARBOXYLIC ACIDS OF THE EMPIRICAL FORMULA C<SB>8</SB>H<SB>17</SB>COOH, PROCESSES FOR PREPARING THESE DIESTERS AND USE OF THESE MIXTURES Evonik Oxeno GmbH (DE) 2009-11-11 EP disclosed
WO-2008095571-A1 MIXTURE OF DIESTERS OF DIANHYDROHEXITOL DERIVATIVES WITH CARBOXYLIC ACIDS OF THE EMPIRICAL FORMULA C8H17COOH, PROCESSES FOR PREPARING THESE DIESTERS AND USE OF THESE MIXTURES EVONIK OXENO GMBH (DE) 2008-08-14 WO disclosed
EP-1058711-B1 BICYCLOOCTANE DERIVATIVES AS PLASTICISERS ATO BV (NL) 2003-04-09 EP disclosed
US-6395810-B1 ISOSORBIDE DIALKANOATE, DIOCTYL PHTHALATE AND POLYVINYL CHLORIDE ATO B.V. (NL) 2002-05-28 US disclosed
EP-1058711-A1 BICYCLOOCTANE DERIVATIVES AS PLASTICISERS ATO B.V. (NL) 2000-12-13 EP disclosed
WO-1999045060-A1 BICYCLOOCTANE DERIVATIVES AS PLASTICISERS ATO B.V. (NL) 1999-09-10 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 (3 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-10640626-B2 Compositions of mixed diesters of 1,4: 3,6-dianhydrohexitol CYP24A1, DHCR24, DAD1 BCHE 447/4885NAAA 1265/4885PRKCA 2469/4885
US-10113053-B2 Isosorbide epoxide diesters, and the use thereof as a plasticizer in PVC compositions VKORC1, VKORC1L1, DDHD2 BCHE 1329/4885NAAA 3692/4885PRKCA 1181/4885
US-20120003166-A1 COSMETIC COMPOSITION FOR NAILS AND THE USE OF AN ISOSORBIDE DERIVATIVE DPM1, POLR1C, SORD BCHE 4389/4885NAAA 4554/4885PRKCA 2444/4885

“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.