SCHEMBL108571

SCHEMBL108571

Cc1c(Cl)ccc(C(=O)O)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
CASP1 P29466 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
TTR P02766 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
PTGS2 P35354 2/20 0.46
AKR1C3 P42330 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 2/20 0.46
ADRA2A P08913 2/20 0.46
USP2 O75604 1/20 0.46
MT-CO2 P00403 1/20 0.46
PLA2G1B P04054 1/20 0.46

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
SCHEMBL27544752 0.84 CSNK2A2 (0.49) TSHRCSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL1197245 0.83 CSNK2A2 (0.45) TSHRCSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL4670497 0.83 TSHR (0.52) TSHRCSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL6585808 0.83 MAPT (0.39) TSHRCSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL10625935 0.83 ALDH1A1 (0.37) TSHRCSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL7924637 0.83 TSHR (0.47) TSHRALDH1A1CASP1SMN1; SMN2LMNA
SCHEMBL9586215 0.83 SLC6A4 (0.39) TSHRCSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL4143093 0.81 GRM1 (0.51) TSHRCSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL4149318 0.81 KMT2A (0.50) CSNK2A2CSNK2BCSNK2A1ALDH1A1SMN1; SMN2
SCHEMBL3116286 0.81 TSHR (0.45) TSHRALDH1A1TP53CASP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57085336-A None JP disclosed
CN-112409263-B Substituted benzoyl compounds and application thereof 东莞市东阳光农药研发有限公司 2024-04-05 CN disclosed
CN-112409226-B Substituted benzoyl compounds and application thereof 东莞市东阳光农药研发有限公司 2024-04-05 CN disclosed
CN-112142671-B Substituted benzoyl-pyrazoles and application thereof in agriculture 东莞市东阳光农药研发有限公司 2024-01-16 CN disclosed
CN-112174889-B Substituted benzoyl compounds and application thereof in agriculture 东莞市东阳光农药研发有限公司 2024-01-16 CN disclosed
CN-112430220-B Substituted benzoyl compounds and application thereof 东莞市东阳光农药研发有限公司 2023-12-08 CN disclosed
CN-112300092-B Heterocyclylalkyl-substituted dichlorobenzoyl compounds and application thereof 东莞市东阳光农药研发有限公司 2023-06-09 CN disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
WO-2021036845-A1 SUBSTITUTED BENZOYL COMPOUND AND APPLICATION THEREOF 东莞市东阳光农药研发有限公司 2021-03-04 WO disclosed
EP-0468766-A1 Halogen-containing compounds, herbicidal composition containing the same as an active ingredient, and intermediary compounds therefor Mitsubishi Chemical Corporation (JP) 1992-01-29 EP disclosed
US-4870182-A 4-Hydroxy-quinoline-3-carboxylic BAYER AKTIENGESELLSCHAFT (DE) 1989-09-26 US disclosed
US-4804760-A Process for the preparation of 4-hydroxy-quinoline-3-carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1989-02-14 US disclosed
US-4762844-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
EP-0245690-A1 Process for the preparation of 4-hydroxy-quinoline-3-carboxylic acids BAYER AG (DE) 1987-11-19 EP disclosed
EP-0181588-A2 Alkyl-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids, process for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-05-21 EP disclosed
US-4406688-A Herbicidal 4-benzoyl-5-phenacyloxy-pyrazole derivatives, composition and method MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1983-09-27 US disclosed
JP-S5785336-A 2,4-DICHLORO-M-TOLUIC ACID, ITS DERIVATIVE AND PREPARATION MITSUBISHI PETROCHEM CO LTD 1982-05-28 JP disclosed
US-4218464-A 4- and 5-Substituted 2,3-dihydro-1H-isoindoles, pharmaceutical compositions and method of inhibiting phenylethanolamine N-methyltransferase SMITHKLINE CORPORATION (US) 1980-08-19 US disclosed
US-3985799-A 2-Fluoro-6-trifluoromethylbenzoic acid SANDOZ, INC. (US) 1976-10-12 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 (2 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-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 TSHR 215/4885CSNK2A2 591/4885CSNK2B 629/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 TSHR 215/4885CSNK2A2 591/4885CSNK2B 629/4885

“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.