SCHEMBL458135

SCHEMBL458135

Brc1c[c]c2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.44
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ACHE P22303 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NQO2 P16083 2/20 0.31
ALOX12 P18054 1/20 0.30

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
SCHEMBL2314445 0.76 MAPT (0.35) CYP2A6ALDH1A1GLAMAPTHPGD
SCHEMBL456729 0.74 CYP2A6 (0.46) CYP2A6ALDH1A1GLAMAPTHPGD
SCHEMBL7300296 0.74 ALDH1A1 (0.30) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL3952850 0.73 CYP1A2 (0.44) CYP2A6ALDH1A1GLAMAPTHPGD
SCHEMBL457801 0.73 CYP2A6 (0.44) CYP2A6ALDH1A1GLAMAPTHPGD
SCHEMBL5999904 0.73 ALDH1A1 (0.32) CYP2A6ALDH1A1GLAMAPTHPGD
SCHEMBL75079 0.73 ALDH1A1 (0.44) CYP2A6ALDH1A1GLAMAPTHPGD
SCHEMBL458019 0.73 CYP2A6 (0.44) CYP2A6ALDH1A1GLAMAPTHPGD
SCHEMBL9720823 0.73 CYP2A6 (0.44) CYP2A6ALDH1A1GLAMAPTHPGD
SCHEMBL455449 0.73 ALDH1A1 (0.32) CYP2A6ALDH1A1GLAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101287472-B Antiviral 4'-substituted pre-nucleotide phosphoramidates HOFFMANN LA ROCHE 2011-10-12 CN claimed
CN-101287472-A Antiviral 4'-substituted pre-nucleotide phosphoramidates ROCHE PALO ALTO LLC (CH) 2008-10-15 CN claimed
EP-1928475-A2 ANTIVIRAL PHOSPHORAMIDATES OF 4'-SUBSTITUTED PRONUCLEOTIDES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-11 EP claimed
WO-2007020193-A2 ANTIVIRAL PHOSPHORAMIDATES OF 4 ' -SUBSTITUTED PRONUCLEOTIDES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO claimed
WO-2020246329-A1 METHOD FOR PRODUCING β-KETOSULFONE COMPOUND 住友化学株式会社 2020-12-10 WO disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
US-4481369-A VIA TRICARBONYL(TRIPHENYLPOSPHINE) COBALTATE ETHYL CORPORATION (US) 1984-11-06 US disclosed
US-4082517-A CYCLOPENTADIENYL MANGANESE ANTIKNOCK ETHYL CORPORATION (US) 1978-04-04 US disclosed
US-RE29488-E CYCLOPENTADIENYL MANGANESE TRICARBONYL, CARBOXYMETHOXY-SUCCINIC ACIDS ETHYL CORPORATION (US) 1977-12-06 US disclosed
US-4052171-A FUEL COMPOSITIONS AND ADDITIVE MIXTURES CONTAINING METHANETRICARBOXYLATES FOR REDUCING EXHAUST GAS CATALYST PLUGGING ETHYL CORPORATION (US) 1977-10-04 US disclosed
US-4005993-A CYCLOPENTADIENYL MANGANESE TRICARBONYL, OXYALKYL-MALONIC ACIDS OR ESTERS ETHYL CORPORATION (US) 1977-02-01 US disclosed
US-4005992-A CYCLOPENTADIENYL MAGNESIUM TRICARBONYL, OXYMETHYLENEMALONIC ACIDS OR ESTERS ETHYL CORPORATION (US) 1977-02-01 US disclosed
US-3958955-A CYCLOPENTADIENYL MANGANESE TRICARBONYL ANTIKNOCK ETHYL CORPORATION (US) 1976-05-25 US disclosed
US-3950145-A ANTIKNOCK ETHYL CORPORATION (US) 1976-04-13 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 CYP2A6 375/4885ALDH1A1 151/4885GLA 886/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CYP2A6 375/4885ALDH1A1 151/4885GLA 886/4885

“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.