SCHEMBL424239

SCHEMBL424239

CC(CO[C]=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
AOC3 Q16853 2/20 0.42
TRPA1 O75762 4/20 0.41
RIPK1 Q13546 1/20 0.41
IGLV6-57 P01721 1/20 0.40
ALDH1A1 P00352 1/20 0.39
FFAR1 O14842 1/20 0.39
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
NISCH Q9Y2I1 3/20 0.38

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
SCHEMBL8470432 0.89 GRIA4 (0.46) FFAR1
SCHEMBL1683176 0.81 CA12 (0.42) TAAR1
SCHEMBL9572884 0.81 RIPK1 (0.47) TAAR1AOC3TRPA1RIPK1ALDH1A1
SCHEMBL585216 0.81 TAAR1 (0.56) TAAR1AOC3TRPA1RIPK1ALDH1A1
SCHEMBL2092257 0.78 RIPK1 (0.44) TAAR1AOC3TRPA1RIPK1ALDH1A1
SCHEMBL11124275 0.77 TSHR (0.38) AOC3
SCHEMBL8489804 0.77 CCR5 (0.41) TAAR1FFAR1
SCHEMBL11124263 0.77 TSHR (0.38) AOC3
SCHEMBL9572677 0.77 RIPK1 (0.43) TAAR1AOC3TRPA1RIPK1ALDH1A1
SCHEMBL3632312 0.76 TAAR1 (0.56) TAAR1AOC3TRPA1RIPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4201707-A Methine dyestuffs containing a phenyl azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US claimed
US-4138570-A METHINE DYE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-06 US claimed
WO-2024075815-A1 8-HYDROXYQUINOLINE COMPOUND AND USE THEREOF 国立大学法人大阪大学 2024-04-11 WO disclosed
US-20210309619-A1 ISOXAZOLIN-5-ONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-10-07 US disclosed
US-11109593-B2 Isoxazolin-5-one derivative and herbicide containing same as active ingredient HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-09-07 US disclosed
EP-3828176-A1 ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT Hokko Chemical Industry Co., Ltd. (JP) 2021-06-02 EP disclosed
US-20200267985-A1 ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2020-08-27 US disclosed
WO-2020022350-A1 ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT 北興化学工業株式会社 2020-01-30 WO disclosed
CN-110191880-A Isoxazolidin-5-one derivative and herbicide containing the same as active ingredient 北兴化学工业株式会社 2019-08-30 CN disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-8603975-B2 Cyclic peptide compounds ASTELLAS PHARMA INC. (JP) 2013-12-10 US disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 EP disclosed
US-4859759-A Siloxane containing benzotriazolyl/tetraalkylpiperidyl substituent KIMBERLY-CLARK CORPORATION (US) 1989-08-22 US disclosed
EP-0135349-B1 CONDENSED SEVEN-MEMBERED RING COMPOUNDS AND THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1988-11-02 EP disclosed
US-4591458-A ENZYME INHIBITORS; HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-05-27 US disclosed
US-4584303-A ANALGESICS THE BOC GROUP, INC. (US) 1986-04-22 US disclosed
EP-0160422-A1 N-Aryl-N-(4-Piperidinyl)amides and pharmaceutical compositions and methods employing such compounds Anaquest, Inc. (US) 1985-11-06 EP disclosed
US-4548932-A ANGIOTENSIN INHIBITOR, HYPOTENSIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US disclosed
EP-0135349-A1 Condensed seven-membered ring compounds and their production and use Takeda Chemical Industries, Ltd. (JP) 1985-03-27 EP 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 (3 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-20200267985-A1 ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT HAX1, CYP4X1, CANX TAAR1 2133/4885AOC3 1126/4885TRPA1 727/4885
US-11109593-B2 Isoxazolin-5-one derivative and herbicide containing same as active ingredient HAX1, CYP4X1, CANX TAAR1 2133/4885AOC3 1126/4885TRPA1 727/4885
US-20210309619-A1 ISOXAZOLIN-5-ONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS HAX1, CYP4X1, CNPY2 TAAR1 2015/4885AOC3 437/4885TRPA1 1054/4885

“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.