SCHEMBL234436

SCHEMBL234436

BrCc1cc2ccccc2cc1CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.42
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.41
TSHR P16473 1/20 0.41
PTPN1 P18031 1/20 0.40
ALOX12 P18054 1/20 0.39
NQO2 P16083 1/20 0.38
CYP1A2 P05177 4/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL31001031 1.00 CYP2A6 (0.42) CYP2A6ALDH1A1TRPA1TSHRPTPN1
SCHEMBL29663812 0.85 CYP2A6 (0.41) CYP2A6ALDH1A1TRPA1TSHRPTPN1
SCHEMBL10417539 0.85 CYP2A6 (0.41) CYP2A6ALDH1A1TRPA1TSHRPTPN1
SCHEMBL1506657 0.83 CYP2A6 (0.34) CYP2A6ALDH1A1TRPA1TSHRPTPN1
SCHEMBL17288982 0.83 CYP2A6 (0.39) CYP2A6ALDH1A1TRPA1TSHRPTPN1
SCHEMBL1520850 0.83 TDP1 (0.41) CYP2A6ALDH1A1PTPN1NQO2CYP1A2
SCHEMBL7657371 0.79 ALDH1A1 (0.33) CYP2A6ALDH1A1TRPA1TSHRPTPN1
SCHEMBL4439625 0.78 ALDH1A1 (0.50) CYP2A6ALDH1A1NQO2CYP1A2MAPT
SCHEMBL9371470 0.78 PTPN1 (0.32) CYP2A6ALDH1A1TRPA1TSHRPTPN1
SCHEMBL10582723 0.78 ALDH1A1 (0.41) CYP2A6ALDH1A1TSHRPTPN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060915-A2 DETECTION OF CLEAVAGE ACTIVITY OF AN ENZYME Mologic Limited (GB) 2016-08-31 EP claimed
WO-2015059487-A2 DETECTION OF CLEAVAGE ACTIVITY OF AN ENZYME MOLOGIC LIMITED (GB) 2015-04-30 WO claimed
US-12320804-B2 Detection of cleavage activity of an enzyme MOLOGIC LIMITED (GB) 2025-06-03 US disclosed
US-20250157661-A1 MONITORING INFLAMMATION STATUS MOLOGIC LIMITED (GB) 2025-05-15 US disclosed
WO-2024235507-A1 METHOD FOR PRODUCING A POLYMER, IN PARTICULAR FOR A MEMBRANE, POLYMER, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-11-21 WO disclosed
WO-2024160834-A1 METHOD FOR PRODUCING A POLYMER, IN PARTICULAR FOR A MEMBRANE, POLYMER, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-08-08 WO disclosed
US-11953506-B2 Monitoring inflammation status MOLOGIC LIMITED (GB) 2024-04-09 US disclosed
EP-3928100-B1 TREATMENT STRATIFICATION FOR AN EXACERBATION OF INFLAMMATION MOLOGIC LTD (GB) 2023-03-22 EP disclosed
US-20220120760-A1 TREATMENT STRATIFICATION FOR AN EXACERBATION OF INFLAMMATION MOLOGIC LIMITED (GB) 2022-04-21 US disclosed
US-20220120760-A1 TREATMENT STRATIFICATION FOR AN EXACERBATION OF INFLAMMATION MOLOGIC LIMITED (GB) 2022-04-21 US disclosed
EP-3928100-A1 TREATMENT STRATIFICATION FOR AN EXACERBATION OF INFLAMMATION Mologic Limited (GB) 2021-12-29 EP disclosed
US-5530139-A BENZO- AND NAPHTHOTHIOPHENE COMPOUNDS; INTERMEDIATES IN AGRICULTURE, FOODS AND MEDICINE, MONOMER FOR ELECTROCONDUCTIVE POLYMER SHOWA DENKO KABUSHIKI KAISHA (JP) 1996-06-25 US disclosed
EP-0561948-B1 PHOSPHONIC ACID DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS UPJOHN CO (US) 1995-04-05 EP disclosed
EP-0622373-A1 Phosphonic acid derivatives useful as anti-inflammatory agents THE UPJOHN COMPANY (US) 1994-11-02 EP disclosed
US-5360797-A Bisphosphonic acid derivatives useful as anti-arthritic agents THE UPJOHN COMPANY (US) 1994-11-01 US disclosed
US-5298622-A Spiroindane opiate analogs REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-03-29 US disclosed
US-5298498-A Antiarthritic agents THE UPJOHN COMPANY (US) 1994-03-29 US disclosed
EP-0561948-A1 PHOSPHONIC ACID DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS. UPJOHN CO (US) 1993-09-29 EP disclosed
WO-1992010504-A2 PHOSPHONIC ACID DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1992-06-25 WO disclosed
US-4351842-A N-Cyclopropylisoindolines GLAXO LABORATORIES LIMITED (GB) 1982-09-28 US disclosed