SCHEMBL96191

SCHEMBL96191

CCCCCOC(=O)CCO

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.63
DGKA P23743 1/20 0.63
HTR2C P28335 1/20 0.59
FAAH O00519 2/20 0.56
RAD52 P43351 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MGLL Q99685 1/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
DNM1 Q05193 1/20 0.52
EPHX1 P07099 1/20 0.48
TSHR P16473 2/20 0.47
PAM P19021 2/20 0.47
ALDH1A1 P00352 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL27468688 0.98 NAAA (0.67) NAAADGKAHTR2CFAAHRAD52
SCHEMBL27563351 0.98 NAAA (0.67) NAAADGKAHTR2CFAAHRAD52
SCHEMBL27289034 0.98 NAAA (0.67) NAAADGKAHTR2CFAAHRAD52
SCHEMBL8864049 0.98 NAAA (0.67) NAAADGKAHTR2CFAAHRAD52
SCHEMBL27913957 0.98 NAAA (0.67) NAAADGKAHTR2CFAAHRAD52
SCHEMBL27875882 0.98 NAAA (0.67) NAAADGKAHTR2CFAAHRAD52
SCHEMBL4083624 0.98 NAAA (0.67) NAAADGKAHTR2CFAAHRAD52
SCHEMBL27500017 0.98 NAAA (0.67) NAAADGKAHTR2CFAAHRAD52
SCHEMBL28264985 0.98 NAAA (0.67) NAAADGKAHTR2CFAAHRAD52
SCHEMBL446637 0.93 DGKA (0.59) NAAADGKAHTR2CFAAHRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113101937-A Doped mixed-valence copper catalyst and preparation method and application thereof 厦门大学 2021-07-13 CN claimed
CN-119897121-A Fullerene modified copper-containing mixed metal silica catalyst and preparation method and application thereof 中国石油化工股份有限公司 2025-04-29 CN disclosed
CN-116351425-B Supported binary alloy catalyst and method for preparing 1, 3-propylene glycol by catalyzing hydrogenation of 3-hydroxy propionate 厦门大学 2024-05-28 CN disclosed
CN-116351425-A Supported binary alloy catalyst and method for preparing 1, 3-propylene glycol by catalyzing hydrogenation of 3-hydroxy propionate 厦门大学 2023-06-30 CN disclosed
CN-114345339-B Supported binary metal catalyst, preparation method and application thereof 厦门大学 2023-02-21 CN disclosed
CN-114345339-A Supported binary metal catalyst, preparation method and application thereof 厦门大学 2022-04-15 CN disclosed
CN-113101937-A Doped mixed-valence copper catalyst and preparation method and application thereof 厦门大学 2021-07-13 CN disclosed
US-20200392058-A1 METHOD FOR PREPARING 1,3-PROPANEDIOL BY COUPLING ETHYLENE OXIDE WITH SYNGAS XIAMEN UNIVERSITY (CN) 2020-12-17 US disclosed
CN-110105169-B Method for preparing 1, 3-propylene glycol by coupling ethylene oxide with synthesis gas 厦门大学 2020-10-27 CN disclosed
CN-104860682-B Cofired ceramic heating member preparation technology 东莞市国研电热材料有限公司 2017-02-15 CN disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994004525-A1 BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-03 WO disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
US-4005189-A Process of suppressing odors employing deodorants containing esters of aliphatic hydroxycarboxylic acids HENKEL & CIE G.M.B.H. (DT) 1977-01-25 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 (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-20200392058-A1 METHOD FOR PREPARING 1,3-PROPANEDIOL BY COUPLING ETHYLENE OXIDE WITH SYNGAS HPD, HSD17B13, AP3S1 NAAA 2745/4885DGKA 1331/4885HTR2C 1415/4885

“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.