SCHEMBL126987

SCHEMBL126987

Cc1cccc(C)c1Br.[MgH2]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP2A6 P11509 2/20 0.47
CYP1A2 P05177 1/20 0.47
ACHE P22303 3/20 0.47
TSHR P16473 1/20 0.47
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
TRPA1 O75762 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
CD44 P16070 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 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
SCHEMBL62013 0.97
SCHEMBL8164803 0.97 ALDH1A1 (0.53) ALDH1A1CYP2A6CYP1A2ACHETSHR
Cyanide SCHEMBL27932755 0.88 ALDH1A1 (0.46) ALDH1A1CYP2A6CYP1A2ACHETSHR
Methoxymethane SCHEMBL27676682 0.88 ALDH1A1 (0.46) ALDH1A1CYP2A6CYP1A2ACHETSHR
SCHEMBL686929 0.84
SCHEMBL29661770 0.84
Toluene SCHEMBL14958101 0.83 ACHE (0.58) ALDH1A1CYP2A6CYP1A2ACHETSHR
SCHEMBL16933963 0.81 ALDH1A1 (0.46) ALDH1A1CYP2A6CYP1A2ACHETSHR
SCHEMBL28716855 0.81 ALDH1A1 (0.40) ALDH1A1CYP2A6CYP1A2ACHETSHR
SCHEMBL27713259 0.81 ALDH1A1 (0.40) ALDH1A1CYP2A6CYP1A2ACHETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100548950-C Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2009-10-14 CN claimed
CN-1759084-A Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2006-04-12 CN claimed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-10899765-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CHEMOCENTRYX, INC. (US) 2021-01-26 US disclosed
US-10815379-B2 pH sensitive fluorescent probe THE UNIVERSITY OF TOKYO (JP) 2020-10-27 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
CN-106866347-B 2, 6-dimethyl-p-quaterphenyl and preparation method and application thereof 南华大学 2020-05-05 CN disclosed
EP-3636653-A1 ASYMMETRICAL SI RHODAMINE AND RHODOL SYNTHESIS The University of Tokyo (JP) 2020-04-15 EP disclosed
US-20190169197-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-10208050-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CHEMOCENTRYX, INC. (US) 2019-02-19 US disclosed
CN-1296374-C Method for producing triorgano-monoalkoxysilanes and method for producing triorgano-monochlorosilanes HOKKO CHEM IND CO (JP) 2007-01-24 CN disclosed
CN-1837221-A Production processes for triorganomonochlorosilanes HOKKO CHEM IND CO (JP) 2006-09-27 CN disclosed
CN-1759084-A Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2006-04-12 CN disclosed
CN-1612886-A Method for producing triorgano-monoalkoxysilanes and method for producing triorgano-monochlorosilanes HOKKO CHEM IND CO (JP) 2005-05-04 CN disclosed
US-20050070730-A1 Production processes for triorganomonoalkoxysilanes and triorganomonochlorosilanes SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-03-31 US disclosed
EP-1123298-A4 2-ALKYL-4-(2,6-DIALKYLPHENYL) INDENES BOULDER SCIENT CO (US) 2002-08-07 EP disclosed
US-6291699-B1 TO PRODUCE BRIDGED METALLOCENE LIGANDS WHICH CAN BE CONVERTED INTO BRIDGED METALLOCENES USEFUL AS OLFIN POLYMERIZATION CATALYST BOULDER SCIENTIFIC COMPANY 2001-09-18 US disclosed
EP-1123298-A1 2-ALKYL-4-(2,6-DIALKYLPHENYL) INDENES BOULDER SCIENTIFIC COMPANY (US) 2001-08-16 EP disclosed
WO-2001014388-A1 2-ALKYL-4-(2,6-DIALKYLPHENYL) INDENES BOULDER SCIENTIFIC COMPANY (US) 2001-03-01 WO 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 (8 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-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 ALDH1A1 2834/4885CYP2A6 938/4885CYP1A2 1737/4885
US-10899765-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CCR2, CXCR2, CX3CR1 ALDH1A1 3373/4885CYP2A6 668/4885CYP1A2 1364/4885
US-10815379-B2 pH sensitive fluorescent probe PHF6, PHF8, NHERF1 ALDH1A1 2728/4885CYP2A6 4572/4885CYP1A2 4869/4885
US-20190169197-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 ALDH1A1 3373/4885CYP2A6 668/4885CYP1A2 1364/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 ALDH1A1 2834/4885CYP2A6 938/4885CYP1A2 1737/4885
US-10208050-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CCR2, CXCR2, CX3CR1 ALDH1A1 3373/4885CYP2A6 668/4885CYP1A2 1364/4885
US-20050070730-A1 Production processes for triorganomonoalkoxysilanes and triorganomonochlorosilanes MLX, HAX1, GRIA3 ALDH1A1 2839/4885CYP2A6 1350/4885CYP1A2 255/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 ALDH1A1 2834/4885CYP2A6 938/4885CYP1A2 1737/4885

“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.