SCHEMBL7511769

SCHEMBL7511769

CCCCCCC(CCC)C(O)=S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
GPR84 Q9NQS5 7/20 0.43
FFAR1 O14842 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 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
SCHEMBL18281636 1.00 CA2 (0.45) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL7509833 1.00 CA2 (0.45) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL6413695 0.98 GRIK1 (0.42) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL5698790 0.95 CA2 (0.48) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL8374553 0.95 CA2 (0.48) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL8320113 0.95 CA2 (0.48) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL76197 0.95 CA2 (0.48) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL77006 0.95 CA2 (0.48) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL8324703 0.95 CA2 (0.48) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL10964155 0.95 CA2 (0.48) CA2GRIK1GRIK2GPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110461834-B Condensed heterocyclic compound and composition containing same 住友化学株式会社 2024-03-12 CN disclosed
CN-117551022-A Aromatic carboxylic ester compound, preparation method thereof, weeding composition and application 江苏中旗科技股份有限公司 2024-02-13 CN disclosed
CN-113631038-B Herbicidal 3-phenylisoxazoline-5-carboxamides containing S-cyclopentenyl carboxylic acid esters 拜耳公司 2023-06-30 CN disclosed
CN-115989255-A Aqueous capsule suspension concentrate containing biodegradable ester groups 拜耳公司 2023-04-18 CN disclosed
CN-115052856-A 3-alkoxybenzamide derivative and pest control agent 组合化学工业株式会社 2022-09-13 CN disclosed
CN-114615891-A High-potency formulations based on 2- [ (2, 4-dichlorophenyl) methyl ] -4,4' -dimethyl-3-isoxazolidone and a pre-emergent herbicide 拜耳公司 2022-06-10 CN disclosed
CN-113631038-A Herbicidally active 3-phenylisoxazoline-5-carboxamides containing S-cyclopentenylcarboxylates 拜耳公司 2021-11-09 CN disclosed
CN-111868042-A Herbicidally active 3-phenylisoxazoline-5-carboxamides of cyclopentyl carboxylic acid derivatives 拜耳公司 2020-10-30 CN disclosed
CN-111448194-A 3-amino- [1,2, 4] -triazole derivatives and their use for controlling undesired vegetation 拜耳作物科学股份公司 2020-07-24 CN disclosed
CN-111093375-A Novel isothiazolo structure-based bicyclic rings, process for their preparation and their use as herbicides and/or plant growth regulators 拜耳作物科学股份公司 2020-05-01 CN disclosed
CN-111031799-A Substituted isothiazolopyridinones, method for the production thereof and use thereof as herbicides and/or plant growth regulators 拜耳作物科学股份公司 2020-04-17 CN disclosed
EP-2620494-B1 SYNTHESIS OF POLYHYDROXYALKANOATES (PHA) WITH THIOESTER GROUPS IN THE SIDE CHAIN CONSEJO SUPERIOR DE INVESTIG CIENTÍFICAS (CSIC) (ES) 2017-02-22 EP disclosed
US-20130274510-A1 SYNTHESIS OF POLYHYDROXYALKANOATES (PHA) WITH THIOESTER GROUPS IN THE SIDE CHAIN CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2013-10-17 US disclosed
EP-2620494-A1 SYNTHESIS OF POLYHYDROXYALKANOATES (PHA) WITH THIOESTER GROUPS IN THE SIDE CHAIN Consejo Superior De Investigaciones Científicas (CSIC) (ES) 2013-07-31 EP disclosed
US-6495152-B2 BIOPOLYMER INCLUDING SULFUR IN THE FORM OF A THIOESTER IN THE POLYMER BACKBONE OR A THIOETHER IN THE POLYMER SIDE CHAINS, PRODUCED BY FERMENTATION OF BACTERIA; USE AS ANTIBACTERIAL COATING, ELECTROLYTE TEPHA, INC. 2002-12-17 US disclosed
US-20020106764-A1 Sulfur containing polyhydroxyalkanoate compositions and method of production TEPHA, INC. 2002-08-08 US disclosed
WO-2002016627-A2 SULFUR CONTAINING POLYHYDROXYALKANOATE COMPOSITIONS AND METHOD OF PRODUCTION TEPHA, INC. (US) 2002-02-28 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 (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-20130274510-A1 SYNTHESIS OF POLYHYDROXYALKANOATES (PHA) WITH THIOESTER GROUPS IN THE SIDE CHAIN COASY, FADS1, ABHD5 CA2 3800/4885GRIK1 4545/4885GRIK2 4489/4885

“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.