SCHEMBL8935459

SCHEMBL8935459

CCCCC(O)(O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
KIF11 P52732 1/20 0.44
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
CHRM2 P08172 4/20 0.42
CHRM3 P20309 4/20 0.42
CHRM4 P08173 3/20 0.42
CHRM5 P08912 3/20 0.42
CHRM1 P11229 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PCSK9 Q8NBP7 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4775722 0.94 SIGMAR1 (0.47) SIGMAR1KIF11CHRM2CHRM3CHRM4
SCHEMBL28187244 0.92 SIGMAR1 (0.46) SIGMAR1CHRM2CHRM3CHRM4CHRM5
SCHEMBL9782412 0.92 SIGMAR1 (0.46) SIGMAR1CHRM2CHRM3CHRM4CHRM5
SCHEMBL6471777 0.92 SIGMAR1 (0.46) SIGMAR1CHRM2CHRM3CHRM4CHRM5
SCHEMBL28187243 0.92 SIGMAR1 (0.46) SIGMAR1CHRM2CHRM3CHRM4CHRM5
Benzene SCHEMBL27446323 0.88 SIGMAR1 (0.44) SIGMAR1CHRM2CHRM3CHRM4CHRM5
SCHEMBL7459315 0.86 SMN1; SMN2 (0.44) SIGMAR1ESR1ESR2CHRM2CHRM3
SCHEMBL5159643 0.83 SIGMAR1 (0.62) SIGMAR1CHRM2CHRM3CHRM4CHRM5
SCHEMBL62287 0.83 CYP1A2 (0.48) SIGMAR1KIF11ESR1ESR2CHRM2
Hydrochloric Acid SCHEMBL10512222 0.81 CHRM4 (0.62) SIGMAR1CHRM2CHRM3CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2809634-A1 METHODS AND COMPOSITIONS FOR STYRENE INHIBITION VIA IN SITU GENERATION OF QUINONE METHIDES General Electric Company (US) 2014-12-10 EP claimed
US-8901362-B2 Methods and compositions for styrene inhibition via in situ generation of quinone methides GENERAL ELECTRIC COMPANY (US) 2014-12-02 US claimed
WO-2013116611-A1 METHODS AND COMPOSITIONS FOR STYRENE INHIBITION VIA IN SITU GENERATION OF QUINONE METHIDES GENERAL ELECTRIC COMPANY (US) 2013-08-08 WO claimed
US-20130204053-A1 METHODS AND COMPOSITIONS FOR STYRENE INHIBITION VIA IN SITU GENERATION OF QUINONE METHIDES GENERAL ELECTRIC COMPANY (US) 2013-08-08 US claimed
US-5262552-A Optically active compounds and intermediates thereof, and process for manufacturing same ASAHI DENKA KOGYO K.K. (JP) 1993-11-16 US claimed
US-20240376256-A1 ORGANIC BINDER, COMPOSITION FOR PRODUCING INORGANIC MATERIAL MOLDED ARTICLE, GREEN BODY, DEGREASED BODY, INORGANIC MATERIAL MOLDED ARTICLE, AND METHOD OF PRODUCING INORGANIC MATERIAL MOLDED ARTICLE KUREHA CORPORATION (JP) 2024-11-14 US disclosed
CN-117529377-A Organic binder, composition for producing inorganic material molded body, green body, degreased body, inorganic material molded body, and method for producing inorganic material molded body 株式会社吴羽 2024-02-06 CN disclosed
CN-116694539-B Lactobacillus plantarum J26 as direct vat set starter, and preparation method and application thereof 东北农业大学 2023-11-17 CN disclosed
WO-2023286509-A1 ORGANIC BINDER, COMPOSITION FOR PRODUCING INORGANIC MATERIAL MOLDED ARTICLE, GREEN BODY, DELIPIDATION BODY, INORGANIC MATERIAL MOLDED ARTICLE, AND INORGANIC MATERIAL MOLDED ARTICLE PRODUCTION METHOD 株式会社クレハ 2023-01-19 WO disclosed
CN-108473724-A Nitrile rubber composition, crosslinkable nitrile rubber composition, and rubber crosslinked product 日本瑞翁株式会社 2018-08-31 CN disclosed
EP-2809634-B1 METHODS AND COMPOSITIONS FOR STYRENE INHIBITION VIA IN SITU GENERATION OF QUINONE METHIDES GEN ELECTRIC (US) 2018-01-31 EP disclosed
US-20150118480-A1 LOW DENSITY EPOXY COMPOSITION WITH LOW WATER UPTAKE 3M INNOVATIVE PROPERTIES COMPANY 2015-04-30 US disclosed
CN-1938387-B Surface-modified metal oxides, methods for production and use thereof in cosmetic preparations BASF AG 2010-09-29 CN disclosed
CN-101160188-A Method for producing ultra-fine metal flakes NANODYNAMICS INC (US) 2008-04-09 CN disclosed
CN-1938387-A Surface-modified metal oxides, methods for production and use thereof in cosmetic preparations BASF AG (DE) 2007-03-28 CN disclosed
US-5504219-A Optically active compounds and intermediates thereof, and process for manufacturing same ASAHI DENKA KOGYO K.K. (JP) 1996-04-02 US disclosed
US-5352845-A Process for manufacture of optically active saturated compounds ASAHI DENKA KOGYO K.K. (JP) 1994-10-04 US disclosed
US-5262552-A Optically active compounds and intermediates thereof, and process for manufacturing same ASAHI DENKA KOGYO K.K. (JP) 1993-11-16 US disclosed
EP-0160258-B1 (6,11-DIHYDRO-11-OXODIBENZ(BM,E)OXEPINYL)PENTANOLS, A PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-09-27 EP disclosed
US-3956402-A MICROBIOCIDES CIBA-GEIGY CORPORATION (US) 1976-05-11 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-20130204053-A1 METHODS AND COMPOSITIONS FOR STYRENE INHIBITION VIA IN SITU GENERATION OF QUINONE METHIDES ADH1A, ADH1C, ADH5 SIGMAR1 4510/4885KIF11 762/4885ESR1 3825/4885

“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.