SCHEMBL9799503

SCHEMBL9799503

CN1C(=O)C2=C(CCC=C2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
MGLL Q99685 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
SCHEMBL6054987 0.78 TRPA1 (0.35) TRPA1ALDH1A1
SCHEMBL13808647 0.76 TRPA1 (0.41) TRPA1ALDH1A1MGLL
SCHEMBL24575773 0.72 GSK3A (0.38) ALDH1A1GSK3AGSK3BMGLL
SCHEMBL13781605 0.70 TRPA1 (0.34) TRPA1
SCHEMBL19291609 0.69 MAOA (0.35) TRPA1
SCHEMBL18671660 0.69 TRPA1 (0.36) TRPA1
SCHEMBL15160718 0.69 TRPA1 (0.40) TRPA1ALDH1A1
SCHEMBL13531726 0.67 TRPA1 (0.32) TRPA1
SCHEMBL20897220 0.67 TRPA1 (0.39) TRPA1ALDH1A1
SCHEMBL19336228 0.67 ALDH1A1 (0.42) TRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
WO-2022270541-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE PHOTOSENSITIVE POLYMER, CURED FILM, AND SEMICONDUCTOR DEVICE 住友ベークライト株式会社 2022-12-29 WO disclosed
EP-3359544-B1 NOVEL MODIFIED MACROCYCLIC COMPOUNDS Bayer Pharma AG (DE) 2020-08-12 EP disclosed
EP-2265092-B1 Electroluminescent device UDC IRELAND LTD (IE) 2018-03-14 EP disclosed
EP-2041200-B1 NOVEL ELECTROLUMINESCENT POLYMERS FOR ELECTRONIC APPLICATIONS UDC IRELAND LTD (IE) 2018-03-07 EP disclosed
WO-2017060167-A1 NOVEL MODIFIED MACROCYCLIC COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-13 WO disclosed
US-8969003-B2 Functionalized 3-alkynyl pyrazolopyrimidine analogues as universal bases and methods of use ELITECH HOLDING B.V. (NL) 2015-03-03 US disclosed
US-20130261014-A1 FUNCTIONALIZED 3-ALKYNYL PYRAZOLOPYRIMIDINE ANALOGUES AS UNIVERSAL BASES AND METHODS OF USE ELITECHGROUP MDX LLC 2013-10-03 US disclosed
US-20130252975-A1 NOVEL ROCK INHIBITORS AMAKEM NV (BE) 2013-09-26 US disclosed
US-20130252975-A1 NOVEL ROCK INHIBITORS AMAKEM NV (BE) 2013-09-26 US disclosed
US-5041663-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed
US-5032169-A Antidotes for herbicides CIBA-GEIGY CORPORATION (US) 1991-07-16 US disclosed
US-4759789-A Treating locus of plant before or during application of herbicide with oxime ether compound CIBA-GEIGY CORPORATION (US) 1988-07-26 US disclosed
US-4566901-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-01-28 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 (2 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-20130261014-A1 FUNCTIONALIZED 3-ALKYNYL PYRAZOLOPYRIMIDINE ANALOGUES AS UNIVERSAL BASES AND METHODS OF USE NUDT1, ADAR, DPYD TRPA1 2297/4885ALDH1A1 669/4885GSK3A 4856/4885
US-20130252975-A1 NOVEL ROCK INHIBITORS ROCK1, ROCK2, CIT TRPA1 4657/4885ALDH1A1 3675/4885GSK3A 178/4885

“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.