SCHEMBL235416

SCHEMBL235416

BrCc1ccc2ccccc2c1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP2A6 P11509 1/20 0.46
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 4/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HPRT1 P00492 1/20 0.42
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL7463076 0.86 HSD17B10 (0.46) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL17008950 0.82 ALDH1A1 (0.40) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL860023 0.81 EGFR (0.38) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL11255632 0.81 MAPT (0.38) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL30066580 0.80 ALDH1A1 (0.48) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL5691676 0.80 ALDH1A1 (0.48) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL29572698 0.80 NCEH1 (0.45) ALDH1A1HSD17B10TDP1CYP1A2CYP2C9
SCHEMBL6577761 0.80 KDM4E (0.63) ALDH1A1HSD17B10TDP1CYP1A2CYP2C9
Formic Acid SCHEMBL22261454 0.79 NCEH1 (0.41) ALDH1A1HSD17B10TDP1CYP1A2CYP2C9
SCHEMBL4698955 0.78 POLB (0.52) ALDH1A1HSD17B10TDP1CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164477-A Preparation of polyoxazolines Kobayashi, Shiro (JP) 1992-11-17 US 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
US-11953506-B2 Monitoring inflammation status MOLOGIC LIMITED (GB) 2024-04-09 US disclosed
US-11810953-B2 Sensor having graphene transistors Graphenea Semiconductor SLU (ES) 2023-11-07 US disclosed
EP-4241073-A1 SENSOR HAVING GRAPHENE TRANSISTORS Graphenea Semiconductor SLU (ES) 2023-09-13 EP disclosed
EP-3928100-B1 TREATMENT STRATIFICATION FOR AN EXACERBATION OF INFLAMMATION MOLOGIC LTD (GB) 2023-03-22 EP disclosed
WO-2022096640-A1 SENSOR HAVING GRAPHENE TRANSISTORS GRAPHENEA S.A (ES) 2022-05-12 WO disclosed
US-20220136996-A1 SENSOR HAVING GRAPHENE TRANSISTORS Graphenea Semiconductor SLU (ES) 2022-05-05 US disclosed
US-20220120760-A1 TREATMENT STRATIFICATION FOR AN EXACERBATION OF INFLAMMATION MOLOGIC LIMITED (GB) 2022-04-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
EP-0973737-A1 EFFICIENT SYNTHESIS OF A CHIRAL MEDIATOR Merck & Co., Inc. (US) 2000-01-26 EP disclosed
WO-1999009032-A1 CARBAPENEMS WITH NAPHTHOSULTAM DERIVATIVE LINKED VIA METHYLENE MERCK & CO., INC. (US) 1999-02-25 WO disclosed
US-5856492-A N-HYDROXYHYDROCARBYL-N-HETEROCYCLE, REVERSE TRANSCRIPTASE INHIBITOR INTERMEDIATE MERCK & CO., INC. (US) 1999-01-05 US disclosed
EP-0861272-A1 IMPROVED PROCESSES BASED ON ATOM (OR GROUP) TRANSFER RADICAL POLYMERIZATION AND NOVEL (CO)POLYMERS HAVING USEFUL STRUCTURES AND PROPERTIES CARNEGIE MELLON UNIVERSITY (US) 1998-09-02 EP disclosed
WO-1998030540-A1 EFFICIENT SYNTHESIS OF A CHIRAL MEDIATOR MERCK & CO., INC. (US) 1998-07-16 WO disclosed
US-5298622-A Spiroindane opiate analogs REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-03-29 US disclosed
US-5164477-A Preparation of polyoxazolines Kobayashi, Shiro (JP) 1992-11-17 US disclosed
EP-0311387-A2 Aromatic amine resins, their production process and thermosetting resin compositions making use of the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-04-12 EP disclosed
US-4351842-A N-Cyclopropylisoindolines GLAXO LABORATORIES LIMITED (GB) 1982-09-28 US disclosed