SCHEMBL2690771

SCHEMBL2690771

CC(C)CC(=O)OCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
PRKCA P17252 2/20 0.36
CA2 P00918 1/20 0.34
CAPN1 P07384 1/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCZ Q05513 1/20 0.33
PRKCD Q05655 1/20 0.33

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
SCHEMBL2690691 0.83 MMP1 (0.37) HTTMMP1MMP2MMP3MMP9
SCHEMBL23004700 0.83 HTT (0.47) HTTALDH1A1CA2MEN1TSHR
SCHEMBL8216917 0.82 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2693741 0.82 POLB (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL17468953 0.82 HTT (0.45) HTTPRKCA
SCHEMBL975279 0.80 HTT (0.52) HTTTSHR
SCHEMBL3442983 0.80 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8215989 0.80 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL25755692 0.79 MMP1 (0.37) HTTMMP1MMP2MMP3MMP9
SCHEMBL8216810 0.77 MMP1 (0.38) MMP1MMP2MMP3MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471553-B Fluorine-containing copolymer composition and method for producing same ASAHI GLASS CO.,LTD. (JP) 2016-02-10 CN claimed
EP-4318629-A1 PRIMER FOR POWER STORAGE DEVICE ELECTRODES, COMPOSITION FOR FORMING PRIMER LAYER, ELECTRODE FOR POWER STORAGE DEVICES, AND SECONDARY BATTERY AGC INC. (JP) 2024-02-07 EP disclosed
US-20230420686-A1 PRIMER FOR POWER STORAGE DEVICE ELECTRODE, COMPOSITION FOR FORMING PRIMER LAYER, ELECTRODE FOR POWER STORAGE DEVICE, AND SECONDARY BATTERY AGC Inc. (JP) 2023-12-28 US disclosed
US-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-06-17 US disclosed
US-9472813-B2 Battery electrolyte solution containing certain ester-based solvents, and batteries containing such an electrolyte solution DOW GLOBAL TECHNOLOGIES LLC (US) 2016-10-18 US disclosed
CN-103262329-B Battery electrolyte solution containing certain ester-based solvents and battery containing such electrolyte solution DOW GLOBAL TECHNOLOGIES LLC (US) 2016-02-10 CN disclosed
CN-102471553-B Fluorine-containing copolymer composition and method for producing same ASAHI GLASS CO.,LTD. (JP) 2016-02-10 CN disclosed
EP-2450406-B1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND METHOD FOR PRODUCING SAME ASAHI GLASS CO LTD (JP) 2015-10-14 EP disclosed
EP-2652832-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION Dow Global Technologies LLC (US) 2013-10-23 EP disclosed
US-20130260229-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2013-10-03 US disclosed
CN-103262329-A Battery electrolyte solution containing certain ester-based solvents and battery containing such electrolyte solution DOW GLOBAL TECHNOLOGIES INC 2013-08-21 CN disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
WO-2012082760-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2012-06-21 WO disclosed
CN-102471553-A Fluorine-containing copolymer composition and method for producing same ASAHI GLASS CO LTD 2012-05-23 CN disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
EP-2450406-A1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND METHOD FOR PRODUCING SAME Asahi Glass Company, Limited (JP) 2012-05-09 EP disclosed
US-20120108723-A1 FLUOROCOPOLYMER COMPOSITION AND ITS PRODUCTION PROCESS ASAHI GLASS COMPANY, LIMITED (JP) 2012-05-03 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-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOS2, SOST HTT 4808/4885MMP1 3699/4885MMP2 4404/4885

“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.