SCHEMBL18358

SCHEMBL18358

CCOc1ccc(Br)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.74
TSHR P16473 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAOB P27338 1/20 0.54
LTA4H P09960 2/20 0.54
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
PARP10 Q53GL7 1/20 0.48
RELA Q04206 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL9804312 0.97 NQO1 (0.70) NQO1TSHRTDP1MAOBLTA4H
Bromoethane SCHEMBL9702775 0.95 NQO1 (0.67) NQO1TSHRTDP1MAOBLTA4H
SCHEMBL6610130 0.93 NQO1 (0.64) NQO1TSHRTDP1MAOBLTA4H
Dimethylamine SCHEMBL6788804 0.93 NQO1 (0.64) NQO1TSHRTDP1MAOBLTA4H
Dimethylamine SCHEMBL9773252 0.91 NQO1 (0.61) NQO1TSHRTDP1MAOBLTA4H
SCHEMBL8085396 0.89 NQO1 (0.58) NQO1TSHRTDP1MAOBLTA4H
SCHEMBL457693 0.89 NQO1 (0.58) NQO1TSHRTDP1MAOBLTA4H
SCHEMBL9789496 0.87 RELA (0.69) NQO1MAOBKDM4EALDH1A1RELA
SCHEMBL9789501 0.87 RELA (0.69) NQO1MAOBKDM4EALDH1A1RELA
1,4-Diethoxybenzene SCHEMBL124015 0.86 NQO1 (1.00) NQO1TSHRTDP1LTA4HKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119060738-A Synthesis method of liquid crystal compound containing alkoxy polyfluorobiphenyl 安庆飞凯新材料有限公司 2024-12-03 CN claimed
CN-117924063-A Reaction method based on visible light catalytic organic compound 中国科学院大连化学物理研究所 2024-04-26 CN claimed
CN-114605313-B Bicarbazole material based on fluorene units and preparation method and application thereof 南京邮电大学 2023-07-21 CN claimed
CN-116041152-A Preparation method of dapagliflozin brominated side chain isomer impurity 河南立诺制药有限公司 2023-05-02 CN claimed
CN-114656505-A Carbene structure ruthenium catalyst and preparation method and application thereof 中国石油化工股份有限公司 2022-06-24 CN claimed
CN-114605313-A Bicarbazole material based on fluorene unit and preparation method and application thereof 南京邮电大学 2022-06-10 CN claimed
CN-109232199-B Synthesis method of 1-chloro-2- (4-ethoxybenzyl) -4-iodobenzene 南京红杉生物科技有限公司 2021-11-30 CN claimed
CN-111825715-A Synthesis method of triphenylphosphine derivative tri- (R-phenyl) phosphine 江苏富比亚化学品有限公司 2020-10-27 CN claimed
US-5817888-A Bromination process ALBEMARLE CORPORATION (US) 1998-10-06 US claimed
US-5380910-A Dehalogeno coupling IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-10 US claimed
WO-1992013820-A1 PROCESS FOR THE PREPARATION OF ALKYL-4-HALOPHENYL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-08-20 WO claimed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US claimed
US-20260083864-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING BAYER AG (DE) 2026-03-26 US disclosed
EP-4626870-A1 NONCOVALENT KEAP1-NRF2 SMALL-MOLECULE INHIBITORS University of Copenhagen (DK) 2025-10-08 EP disclosed
US-20250282801-A1 TRITYL-BASED ALCOHOL PROTECTING GROUP SYNCREST INC. (JP) 2025-09-11 US disclosed
US-12410472-B2 Method for evaluating the eye irritation potential of chemicals IMMUNOSEARCH (FR) 2025-09-09 US disclosed
US-4505837-A Liquid crystalline phenylcyclohexene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-03-19 US disclosed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US disclosed
EP-0049913-A2 New ethenylimidazole derivatives, processes for their preparation and pharmaceutical compositions containing them; intermediates, useful in their preparation and a process for the preparation thereof GIST-BROCADES N.V. (NL) 1982-04-21 EP disclosed
EP-0022705-A1 Derivatives of tetrahydropyridinyl-indol and their salts, their preparation, their application as medicines, and compositions containing them ROUSSEL-UCLAF (FR) 1981-01-21 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 (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-20250282801-A1 TRITYL-BASED ALCOHOL PROTECTING GROUP POT1, ADH1A, ADH5 NQO1 949/4885TSHR 1816/4885TDP1 174/4885
US-20260083864-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING CA13, CCR1, GALC NQO1 3399/4885TSHR 637/4885TDP1 3914/4885

“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.