SCHEMBL1872402

SCHEMBL1872402

O=C1OC(=O)C2=C1C=CCC2

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.54
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 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
SCHEMBL15160718 0.72 TRPA1 (0.40) TRPA1ALDH1A1CA1CA9
Ligustilide SCHEMBL11967666 0.71 TRPA1 (1.00) TRPA1ALDH1A1
Ligustilide SCHEMBL4087027 0.71 TRPA1 (1.00) TRPA1ALDH1A1
SCHEMBL3762680 0.70 TRPA1 (0.68) TRPA1
SCHEMBL20897220 0.70 TRPA1 (0.39) TRPA1ALDH1A1CA1CA9
SCHEMBL19336228 0.70 ALDH1A1 (0.42) TRPA1ALDH1A1CA1CA9
SCHEMBL18468285 0.69 ALOX15 (0.33) TRPA1CA1CA9
SCHEMBL10513930 0.67 GSK3A (0.43) TRPA1
SCHEMBL9522735 0.67 GSK3A (0.43) TRPA1
SCHEMBL20169555 0.67 TRPA1 (0.37) TRPA1ALDH1A1CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425662-A Purification method of waste N-methyl-2-pyrrolidone 载元产业株式会社 2023-07-14 CN claimed
EP-4201922-A1 METHOD FOR PURIFYING WASTED SOLUTION COMPRISING N-METHYL-2-PYRROLIDONE JAEWON INDUSTRIAL CO., LTD (KR) 2023-06-28 EP claimed
US-20230192609-A1 METHOD FOR PURIYFING WASTE N-METHYL-2-PYRROLIDONE JAEWON INDUSTRIAL CO., LTD (KR) 2023-06-22 US claimed
CN-110007561-A Green photonasty resin composition, colored filter and image display device 东友精细化工有限公司 2019-07-12 CN claimed
CN-106008919-A Phosphorus-containing flame-retardant epoxy resin having undergone hydrophobic modification by silane, and preparation method thereof 福州大学 2016-10-12 CN claimed
US-8822132-B2 Colored dispersion, photoresist composition and black matrix LG CHEM, LTD. (KR) 2014-09-02 US claimed
US-20100104981-A1 COLORED DISPERSION, PHOTORESIST COMPOSITION AND BLACK MATRIX LG CHEM, LTD. (KR) 2010-04-29 US claimed
WO-2009061159-A2 COLORED DISPERSION, PHOTORESIST COMPOSITION AND BLACK MATRIX LG CHEM. LTD. (KR) 2009-05-14 WO claimed
CN-116425662-A Purification method of waste N-methyl-2-pyrrolidone 载元产业株式会社 2023-07-14 CN disclosed
EP-4201922-A1 METHOD FOR PURIFYING WASTED SOLUTION COMPRISING N-METHYL-2-PYRROLIDONE JAEWON INDUSTRIAL CO., LTD (KR) 2023-06-28 EP disclosed
US-20230192609-A1 METHOD FOR PURIYFING WASTE N-METHYL-2-PYRROLIDONE JAEWON INDUSTRIAL CO., LTD (KR) 2023-06-22 US disclosed
CN-112236161-A Modulators of G protein-coupled receptors 卡莫特治疗学股份有限公司 2021-01-15 CN disclosed
CN-110501877-A Photosensitive polymer combination, photo-sensitive resin and electronic device using it SAMSUNG SDI CO LTD 2019-11-26 CN disclosed
CN-110418822-A Resin composition, resin sheet, laminate, and semiconductor element LINTEC CORP 2019-11-05 CN disclosed
US-20110101268-A1 PHOTOSENSITIVE RESIN COMPOSITION FOR BLACK MATRIX LG CHEM, LTD. (KR) 2011-05-05 US disclosed
US-20100104981-A1 COLORED DISPERSION, PHOTORESIST COMPOSITION AND BLACK MATRIX LG CHEM, LTD. (KR) 2010-04-29 US disclosed
WO-2010011959-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 WO disclosed
WO-2009061159-A2 COLORED DISPERSION, PHOTORESIST COMPOSITION AND BLACK MATRIX LG CHEM. LTD. (KR) 2009-05-14 WO disclosed
WO-1997034619-A1 METHODS OF TREATING HERPES OR CHLAMYDIA NEW YORK BLOOD CENTER (US) 1997-09-25 WO disclosed
US-4009278-A Antimicrobial composition and method containing N-(3,5-dihalophenyl)-imide compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-02-22 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-20230192609-A1 METHOD FOR PURIYFING WASTE N-METHYL-2-PYRROLIDONE NPEPPS, AZI2, ALKBH2 TRPA1 2969/4885ALDH1A1 980/4885CA1 1171/4885

“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.