SCHEMBL6940134

SCHEMBL6940134

Cc1cccc(C)c1OS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CYP1A2 P05177 3/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ALPL P05186 1/20 0.40
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
SCN4A P35499 3/20 0.36
LMNA P02545 2/20 0.36
SCN1A P35498 2/20 0.36
SCN5A Q14524 2/20 0.36
SCN9A Q15858 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
KCNK3 O14649 1/20 0.36
CACNA1F O60840 1/20 0.36

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
SCHEMBL14500654 0.87 TSHR (0.46) KEAP1NFE2L2CYP1A2TSHRHSD17B10
SCHEMBL27584645 0.86 TRPA1 (0.43) KEAP1NFE2L2CYP1A2TSHRHSD17B10
SCHEMBL27589924 0.84 GABRA1 (0.38) KEAP1NFE2L2CYP1A2TSHRHSD17B10
SCHEMBL9957050 0.80 HSD17B10 (0.41) KEAP1NFE2L2CYP1A2TSHRHSD17B10
SCHEMBL4131408 0.79 ALDH1A1 (0.40) KEAP1NFE2L2CYP1A2TSHRHSD17B10
SCHEMBL3371349 0.79 CA2 (0.50) CYP1A2TSHRSCN4ALMNASCN1A
SCHEMBL28639023 0.79 ELANE (0.41) KEAP1NFE2L2CYP1A2TSHRHSD17B10
SCHEMBL11249189 0.78 PTPN1 (0.57) CYP1A2TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL11105791 0.77 PTGS2 (0.47) TSHRHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL64791 0.76 CYP1A2 (0.44) NFE2L2CYP1A2TSHRHSD17B10ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309502-A1 ANIMAL LITTER COMPOSITIONS AND METHOD OF AMMONIA ABATEMENT CONTROLLED RELEASE TECHNOLOGIES, INC. (US) 2023-10-05 US claimed
WO-2023158815-A1 ANIMAL LITTER COMPOSITIONS AND METHOD OF AMMONIA ABATMENT CONTROLLED RELEASE TECHNOLOGIES, INC. (US) 2023-08-24 WO claimed
US-20230309502-A1 ANIMAL LITTER COMPOSITIONS AND METHOD OF AMMONIA ABATEMENT CONTROLLED RELEASE TECHNOLOGIES, INC. (US) 2023-10-05 US disclosed
WO-2023158815-A1 ANIMAL LITTER COMPOSITIONS AND METHOD OF AMMONIA ABATMENT CONTROLLED RELEASE TECHNOLOGIES, INC. (US) 2023-08-24 WO disclosed
EP-2949655-B1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEM IND CO (JP) 2019-05-15 EP disclosed
US-9707551-B2 Reaction catalyst for cross-coupling and method for manufacturing aromatic compound HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-18 US disclosed
CN-105980354-A Method for producing harmful-organism control agent, and intermediate thereof 庵原化学工业株式会社 2016-09-28 CN disclosed
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2015-12-17 US disclosed
EP-2949655-A1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND Hokko Chemical Industry Co., Ltd. (JP) 2015-12-02 EP disclosed
CN-105008378-A Reaction catalyst for cross coupling and method for manufacturing aromatic compound HOKKO CHEM IND CO 2015-10-28 CN disclosed
EP-1167372-B1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
US-6455720-B1 AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-24 US disclosed
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-05-16 US disclosed
US-6365776-B1 FROM ORGANOHALOGEN COMPOUND AND AMINE USING PALLADIUM COMPOUND CATALYST AND PROMOTER TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-04-02 US disclosed
US-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TAKASAGO INTERNATIONAL CORPORATION 2002-03-21 US disclosed
EP-1167372-A1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst Takasago International Corporation (JP) 2002-01-02 EP disclosed
EP-0025659-B1 PROCESSES FOR THE PRODUCTION OF 1,2,3-TRIHYDROXYPHENYL COMPOUNDS FBC LIMITED (GB) 1983-11-02 EP disclosed
US-4351968-A Production of organic compounds FBC LIMITED (GB) 1982-09-28 US disclosed
EP-0025659-A2 Processes for the production of 1,2,3-trihydroxyphenyl compounds FBC LIMITED (GB) 1981-03-25 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-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TYR, DDC, PNMT KEAP1 559/4885NFE2L2 446/4885CYP1A2 700/4885
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst DDT, PDCD11, PLD2 KEAP1 468/4885NFE2L2 420/4885CYP1A2 1237/4885
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND ALK, HRH4, HRH3 KEAP1 4208/4885NFE2L2 4108/4885CYP1A2 516/4885

“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.