SCHEMBL2909938

SCHEMBL2909938

[CH2]CCCOC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 6/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.32
NAAA Q02083 1/20 0.31

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
SCHEMBL8827630 0.93 ALDH1A1 (0.38) ALDH1A1TSHRHPGDCYP3A4NAAA
SCHEMBL4204366 0.85
SCHEMBL9480850 0.85 ALDH1A1 (0.40) ALDH1A1TSHRHPGDCYP3A4ATM
SCHEMBL27982814 0.82 NAAA (0.44) ALDH1A1TSHRCYP3A4NAAA
SCHEMBL8421539 0.82 NAAA (0.44) ALDH1A1TSHRCYP3A4NAAA
SCHEMBL10682286 0.80 ALDH1A1 (0.35) ALDH1A1TSHRHPGDATMNAAA
Ethylene Glycol Diisobutanoate SCHEMBL843146 0.79 TSHR (0.36) ALDH1A1TSHR
SCHEMBL2524808 0.79 TSHR (0.31) ALDH1A1TSHRHPGD
SCHEMBL2529910 0.78 ALDH1A1 (0.36) ALDH1A1TSHRHPGDATMNAAA
SCHEMBL8036146 0.78 ALDH1A1 (0.36) ALDH1A1TSHRHPGDCYP3A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591426-B2 Copolymer, wetting agent, medical device, and method for producing same TORAY INDUSTRIES, INC. (JP) 2023-02-28 US disclosed
US-20220204540-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2022-06-30 US disclosed
EP-3962900-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF ISAGRO S.p.A. (IT) 2022-03-09 EP disclosed
CN-113784952-A Esters of non-aromatic heterocyclic compounds with nematicidal activity, their agronomic compositions and uses thereof 伊萨格罗股份公司 2021-12-10 CN disclosed
EP-3438144-B1 COPOLYMER, WETTING AGENT, MEDICAL DEVICE, AND METHOD FOR PRODUCING SAME TORAY INDUSTRIES (JP) 2021-06-30 EP disclosed
US-20210015960-A1 COPOLYMER, WETTING AGENT, MEDICAL DEVICE, AND METHOD FOR PRODUCING SAME TORAY INDUSTRIES, INC. (JP) 2021-01-21 US disclosed
WO-2020222118-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF. ISAGRO S.P.A. (IT) 2020-11-05 WO disclosed
US-20190099511-A1 COPOLYMER, WETTING AGENT, MEDICAL DEVICE, AND METHOD FOR PRODUCING SAME TORAY INDUSTRIES, INC. (JP) 2019-04-04 US disclosed
EP-3438144-A1 COPOLYMER, WETTING AGENT, MEDICAL DEVICE, AND METHOD FOR PRODUCING SAME Toray Industries, Inc. (JP) 2019-02-06 EP disclosed
EP-2217564-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2010-08-18 EP disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL 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-4808620-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIALLERGENS, ANTIARTHRITIC, ANTIRHEUMATIC AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-02-28 US disclosed
EP-0254241-A1 Pyrazolopyridine compounds, their preparation and use Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-01-27 EP disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed
US-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 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-20220204540-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF ACHE, CYP51A1, DNPH1 ALDH1A1 1226/4885TSHR 3995/4885HPGD 1248/4885

“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.