SCHEMBL47329

SCHEMBL47329

CC(C)COCCOC=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7254419 0.86 SPHK1 (0.34) ALDH1A1ADH1BADH1CADH1A
SCHEMBL7254214 0.86 SPHK2 (0.31) ALDH1A1ADH1BADH1CADH1A
SCHEMBL7247795 0.85 SPHK1 (0.36)
SCHEMBL7249938 0.85 SPHK1 (0.36)
SCHEMBL10383190 0.82 HSD17B10 (0.52) HSD17B10
SCHEMBL2250830 0.80 HSD17B10 (0.31) HSD17B10
SCHEMBL723497 0.79 HSD17B10 (0.41) ALDH1A1TSHRHSD17B10
SCHEMBL693825 0.78
SCHEMBL25812 0.76
SCHEMBL20485768 0.76 ALDH1A1 (0.39) ALDH1A1ADH1BADH1CADH1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5352774-A Colorfast blue dyes for plastics and synthetic fibers SANDOZ AG (CH) 1994-10-04 US claimed
US-4268671-A PERINONE DYES USED FOR DYEING POLYESTERS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1981-05-19 US claimed
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
US-20110049089-A1 ULTRAVIOLET-CURABLE RESIN MATERIAL FOR PATTERN TRANSFER AND MAGNETIC RECORDING MEDIUM MANUFACTURING METHOD USING THE SAME KABUSHIKI KAISHA TOSHIBA (JP) 2011-03-03 US disclosed
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed
EP-0930541-A1 Radiation sensitive resin composition JSR Corporation (JP) 1999-07-21 EP disclosed
EP-0822931-A1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION Takeda Chemical Industries, Ltd. (JP) 1998-02-11 EP disclosed
WO-1996033982-A1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO disclosed
EP-0315898-B1 ISOTHIAZOLE AZO DYES BASF Aktiengesellschaft (DE) 1993-01-20 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
EP-0363223-A2 3-Aryloxymethyl-cephalosporin derivatives, their preparation and their medical use Sankyo Company Limited (JP) 1990-04-11 EP disclosed
EP-0315898-A2 Isothiazole azo dyes BASF Aktiengesellschaft (DE) 1989-05-17 EP disclosed
US-4323363-A DISPERSE DYE USED ON POLYESTERS MIXED WITH CELLULOSE CASSELLA AKTIENGESELLSCHAFT (DE) 1982-04-06 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 (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 ALDH1A1 852/4885ADH1B 416/4885ADH1C 293/4885
US-11109593-B2 Isoxazolin-5-one derivative and herbicide containing same as active ingredient HAX1, CYP4X1, CANX ALDH1A1 852/4885ADH1B 416/4885ADH1C 293/4885
US-20210309619-A1 ISOXAZOLIN-5-ONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS HAX1, CYP4X1, CNPY2 ALDH1A1 795/4885ADH1B 774/4885ADH1C 348/4885

“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.