SCHEMBL190098

SCHEMBL190098

O=Cc1ccc(CBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
ALDH1A1 P00352 7/20 0.43
TRPA1 O75762 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A3 P47895 3/20 0.43
ALDH3A1 P30838 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TYR P14679 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2A13 Q16696 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL24197431 0.95 CYP2A6 (0.42) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL3360115 0.93 DRD1 (0.42) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL452938 0.87 EPHX2 (0.44) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL5562562 0.84 TYR (0.44) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
Benzyl Bromide SCHEMBL30423789 0.83 ALDH1A1 (0.64) CYP2A6ALDH1A1TRPA1TSHRLMNA
SCHEMBL3976211 0.80 CYP2A6 (0.52) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL377782 0.80 TDP1 (0.48) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL5274424 0.80 HTR6 (0.49) CYP2A6ALDH1A1TRPA1TSHRCES2
SCHEMBL5429778 0.78 CYP2A6 (0.50) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL9004476 0.78 TRPA1 (0.48) ALDH1A1TRPA1TSHRHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120025282-A Synthesis method of N-heterocyclic carbene precursor and metal complex based on nano graphene fragments 西北大学 2025-05-23 CN claimed
CN-119571627-A Moisture-absorbing antibacterial knitted fabric, preparation method thereof and application thereof in underwear 广东七彩飞霞针织实业有限公司 2025-03-07 CN claimed
CN-119060353-A Electroactive hydrogel, preparation method and application thereof 中国人民解放军陆军军医大学第一附属医院 2024-12-03 CN claimed
CN-118955982-A Low-reflection explosion-proof multilayer composite film and preparation process thereof 世星科技股份有限公司 2024-11-15 CN claimed
CN-117568743-B Surface corrosion-resistant wear-resistant treatment process for iron-based material 江苏普坦科金属科技有限公司 2024-03-19 CN claimed
CN-117700421-A Near infrared fluorescent probe for detecting GSH, preparation method and biological imaging application thereof 河南中医药大学 2024-03-15 CN claimed
CN-116903935-B Preparation process of low rolling resistance conveying rubber belt 山东威普斯橡胶股份有限公司 2024-03-08 CN claimed
CN-117568743-A Surface corrosion-resistant wear-resistant treatment process for iron-based material 江苏普坦科金属科技有限公司 2024-02-20 CN claimed
CN-117384136-A NO donor type antifungal compound and preparation method and application thereof 中国药科大学 2024-01-12 CN claimed
CN-115246795-B Isoxazoline compound containing ether structure at 4-phenyl para-position, preparation method thereof and application thereof as insecticidal and bactericidal agent 瑞普(天津)生物药业有限公司 2024-01-02 CN claimed
CN-103664810-B A kind of technique synthesizing letrozole 深圳劲创生物技术有限公司 2016-09-14 CN claimed
CN-105080423-A Quaternary ammonium salt type Gemini surfactant and preparation method therefor UNIV EAST CHINA SCIENCE & TECH 2015-11-25 CN claimed
EP-1492780-B1 5-SUBSTITUTED 1,1-DIOXO-¬1,2,5 THIAZOLIDINE-3-ONE DERIVATIVES AS PTPASE 1B INHIBITORS NOVARTIS AG (CH) 2011-11-23 EP claimed
US-7022862-B2 Scalable synthesis of dipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2006-04-04 US claimed
US-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 US claimed
WO-1994009773-A1 NEW ANTIVIRAL AGENTS THE SCRIPPS RESEARCH INSTITUTE (US) 1994-05-11 WO claimed
US-5248770-A Labels such as fluorescent or radioactive compounds THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-09-28 US claimed
US-5098996-A Fluorination of compounds for use in diagnosis of nuclear medicine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1992-03-24 US claimed
US-4868241-A POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1989-09-19 US claimed
EP-0231922-A2 Electron beam and X-ray resists AMERICAN CYANAMID COMPANY (US) 1987-08-12 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050038262-A1 aldehyde-pyrrole catalytic condensation leading to dipyrromethanes as a crystalline solid or as intermediates used for making porphyrin compounds; non-aqueous process PPOX, DAO, DDO CYP2A6 895/4885HSD17B10 814/4885ALDH5A1 20/4885

“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.