SCHEMBL6941225

SCHEMBL6941225

Cc1cc(C)cc(OS(C)(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CA2 P00918 7/20 0.38
CA1 P00915 3/20 0.38
CA9 Q16790 3/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
CA12 O43570 3/20 0.36
PPARG P37231 1/20 0.36
CA5A P35218 2/20 0.35

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
SCHEMBL3845685 0.95 HPGD (0.41) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL8194919 0.87 ALDH1A1 (0.46) ALDH1A1CYP3A4HPGDKDM4EGAA
SCHEMBL17355707 0.85 HPGD (0.36) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL8199185 0.85 ALPL (0.39) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL927493 0.84 ALDH1A1 (0.45) ALDH1A1TSHRHPGDKDM4EGAA
SCHEMBL16727018 0.80 EPAS1 (0.34) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL15460152 0.80 IDH1 (0.38) ALDH1A1CYP3A4MAPK1HPGDKDM4E
SCHEMBL8225768 0.79 HPGD (0.33) ALDH1A1HPGDKDM4EGAAALPL
SCHEMBL29212223 0.78 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL4599461 0.78 PPARG (0.58) ALDH1A1TDP1HPGDKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108883099-B Thiazolidinone compounds and use thereof 石全 2021-09-28 CN disclosed
CN-106573896-B Fluoroalkylating agents KUMIAI CHEMICAL INDUSTRY CO.,LTD. (JP) 2019-11-01 CN 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
CN-105980354-B The manufacture method and its intermediate of pest control agent 组合化学工业株式会社 2018-04-13 CN 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-106573896-A Fluoroalkylating agents 庵原化学工业株式会社 2017-04-19 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
US-8212056-B2 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-07-03 US disclosed
US-20090326243-A1 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-12-31 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 ALDH1A1 1669/4885CYP3A4 301/4885TSHR 2516/4885
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 ALDH1A1 2369/4885CYP3A4 1390/4885TSHR 2225/4885
US-20090326243-A1 Ligands for transition-metals and methods of use PDK4, PDXK, PDK3 ALDH1A1 1267/4885CYP3A4 218/4885TSHR 1068/4885
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND ALK, HRH4, HRH3 ALDH1A1 2351/4885CYP3A4 237/4885TSHR 544/4885

“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.