SCHEMBL317359

SCHEMBL317359

CC(=O)OC(=O)C(F)(F)Cl

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 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
SCHEMBL3650178 0.84 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL317358 0.83 ALDH1A1 (0.32) ALDH1A1TSHR
Chloromethane SCHEMBL28080032 0.81 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL29408169 0.80 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL4854325 0.79 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL150680 0.78 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL53 0.78 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL25283311 0.76 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1
Hydrogen Peroxide SCHEMBL28819174 0.76 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL28970860 0.76 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115088729-A Preparation method and application of pesticide-fertilizer granules containing clothianidin and bifenthrin 赤天化科技集团有限公司 2022-09-23 CN claimed
CN-110015993-B Method for preparing aza-heptatomic ring benzazepine compound by visible light catalysis 汕头大学 2022-07-08 CN claimed
EP-3208267-B1 METHOD FOR PREPARING ISOBENZOFURAN-1(3H)-ONE COMPOUND EVERFRONT BIOTECH INC (TW) 2020-12-23 EP claimed
US-9884835-B2 Method for preparing isobenzofuran-1(3H)-one compound EVERFRONT BIOTECH INC. (TW) 2018-02-06 US claimed
US-20170260155-A1 Method for Preparing Isobenzofuran-1(3H)-One Compound EVERFRONT BIOTECH INC. (TW) 2017-09-14 US claimed
EP-3208267-A1 METHOD FOR PREPARING ISOBENZOFURAN-1(3H)-ONE COMPOUND Everfront Biotech Inc. (TW) 2017-08-23 EP claimed
EP-2125931-B1 VINYL ENDS MEASURING METHOD EASTMAN CHEM CO (US) 2011-03-09 EP claimed
EP-2125931-A1 VINYL ENDS MEASURING METHOD Eastman Chemical Company (US) 2009-12-02 EP claimed
US-7553911-B2 Coated polydivinylbenzene beads JORDI FLP (US) 2009-06-30 US claimed
US-20080255269-A1 Polystyrene divinylbenzene copolymer having a fluorinated, amidated surface; high performance liquid chromatography tationary phase JORDI HOWARD C 2008-10-16 US claimed
WO-2007127136-A2 ANTIBIOTIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-08 WO claimed
EP-0850957-B1 Process for controlled radical polymerisation or copolymerisation of (meth)acryl, vinyl, vinylidene and dien monomers and so prepared (co)polymers ATOFINA (FR) 2002-04-10 EP claimed
EP-1017687-A4 PROCESS OF MAKING 3-ARYLOXY, 4-ARYL FURAN-2-ONES USEFUL AS INHIBITORS OF COX-2 MERCK & CO INC (US) 2001-10-31 EP claimed
US-6140515-A Process of making 3-aryloxy, 4-aryl furan-2-ones useful as inhibitors of COX-2 MERCK & CO., INC. (US) 2000-10-31 US claimed
US-6114482-A BULK, SOLUTION, EMULSION OR SUSPENSION POLYMERIZATION IN THE PRESENCE OF AN INITIATOR SYSTEM COMPRISING AT LEAST ONE RADICAL-GENERATOR COMPOUND OTHER THAN AN ARENESULPHONYL CHLORIDE AND AT LEAST ONE METAL COMPLEX CATALYST ELF ATOCHEM, S.A. (FR) 2000-09-05 US claimed
EP-1017687-A1 PROCESS OF MAKING 3-ARYLOXY, 4-ARYL FURAN-2-ONES USEFUL AS INHIBITORS OF COX-2 Merck & Co., Inc. (US) 2000-07-12 EP claimed
EP-0841346-B1 Process of controlled radical (co)polymerization of (meth)acrylic, vinylic, vinylidenic and dienic monomers in the presence of a complex of Rh, Co or Ir ATOCHEM ELF SA (FR) 1999-09-29 EP claimed
WO-1999015513-A1 PROCESS OF MAKING 3-ARYLOXY, 4-ARYL FURAN-2-ONES USEFUL AS INHIBITORS OF COX-2 MERCK & CO., INC. (US) 1999-04-01 WO claimed
US-5854364-A Process for the controlled radical polymerization or copolymerization of (meth)acrylic, vinyl, vinylidene and diene monomers, and (co)polymers obtained ELF ATOCHEM S.A. (FR) 1998-12-29 US claimed
US-5811500-A USING NON-PEROXY FREE RADICAL GENERATOR ELF ATOCHEM S.A. (FR) 1998-09-22 US claimed

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-20170260155-A1 Method for Preparing Isobenzofuran-1(3H)-One Compound CYP2F1, CYP1B1, CYP1A1 ALDH1A1 49/4885TSHR 2117/4885HSD17B10 1106/4885

“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.