SCHEMBL177529

SCHEMBL177529

Cc1cc(Br)ccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.59
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 3/20 0.46
CYP2A6 P11509 2/20 0.42
CYP2B6 P20813 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
PTPRC P08575 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
BACE1 P56817 1/20 0.39
CYP19A1 P11511 1/20 0.39
ALOX5 P09917 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
DCLK1 O15075 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 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
Fluoride SCHEMBL27520052 0.98 ESR2 (0.57) ESR2ALDH1A1MAPK1CYP2A6CYP2B6
Acetic Acid SCHEMBL11702188 0.91 ALDH1A1 (0.55) ESR2ALDH1A1PTGDR2PPARGPPARA
SCHEMBL30414134 0.86 ESR2 (0.42) ESR2ALDH1A1MAPK1CYP2A6
SCHEMBL679627 0.86 ESR2 (0.42) ESR2ALDH1A1MAPK1CYP2A6
SCHEMBL25056756 0.86 ALDH1A1 (0.58) ESR2ALDH1A1MAPK1CYP2A6CYP2B6
SCHEMBL17574346 0.86 ALDH1A1 (0.52) ESR2ALDH1A1MAPK1PTPRCALOX5
SCHEMBL6519997 0.84 ALDH1A1 (0.42) ESR2ALDH1A1MAPK1CYP2A6
SCHEMBL21277258 0.84 ALDH1A1 (0.45) ESR2ALDH1A1MAPK1PPARG
SCHEMBL6326863 0.83 ESR2 (0.48) ESR2ALDH1A1MAPK1CYP2A6CYP2B6
SCHEMBL14305807 0.83 ALDH1A1 (0.50) ESR2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002006187-A1 METHOD FOR PREPARING A POLYAROMATIC COMPOUND RHODIA CHIMIE (FR) 2002-01-24 WO claimed
CN-117820191-B Diphenylamine compound and preparation method, application and pharmaceutical composition thereof FUDAN UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-119930416-A 2-Bromofluorenone prepared by air oxidation bromination, and method and application thereof 陕西煤业化工技术研究院有限责任公司 2025-05-06 CN disclosed
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-10-31 US disclosed
CN-118527068-A Tubular reactor capable of continuously producing Grignard reagent 吉林化工学院 2024-08-23 CN disclosed
CN-117820191-A Diphenylamine compound and preparation method, application and pharmaceutical composition thereof 复旦大学 2024-04-05 CN disclosed
US-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF KANAPH THERAPEUTICS INC. (KR) 2023-11-16 US disclosed
US-20230309369-A1 Organic Light-Emitting Device LG CHEM, LTD. (KR) 2023-09-28 US disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
CN-115960032-A Aryloxy propanol amine beta-adrenaline receptor ligand with beta-arrestin biased agonistic activity and application thereof 复旦大学 2023-04-14 CN disclosed
US-6350907-B1 PEPTIDE ENZYME INHIBITORS PFIZER INC 2002-02-26 US disclosed
WO-2002006187-A1 METHOD FOR PREPARING A POLYAROMATIC COMPOUND RHODIA CHIMIE (FR) 2002-01-24 WO disclosed
CN-1284942-A matrix metalloproteinase inhibitors PFIZER LTD (US) 2001-02-21 CN disclosed
EP-1047665-A1 MATRIX METALLOPROTEASE INHIBITORS Pfizer Limited (GB) 2000-11-02 EP disclosed
EP-1036062-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS Pfizer Limited (GB) 2000-09-20 EP disclosed
US-6090852-A MATRIX METALLOPROTEASE INHIBITOR PFIZER INC (US) 2000-07-18 US disclosed
EP-0931788-A2 Metalloprotease inhibitors Pfizer Limited (GB) 1999-07-28 EP disclosed
WO-1999035124-A1 MATRIX METALLOPROTEASE INHIBITORS PFIZER LIMITED (GB) 1999-07-15 WO disclosed
WO-1999029667-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LIMITED (GB) 1999-06-17 WO disclosed
US-4029594-A Novel liquid crystal compounds and electro-optic devices incorporating them RCA CORPORATION (US) 1977-06-14 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 (3 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-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A ESR2 799/4885ALDH1A1 177/4885MAPK1 1182/4885
US-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF PTGER1, PTGIR, PTGDR2 ESR2 188/4885ALDH1A1 1126/4885MAPK1 1092/4885
US-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 ESR2 1784/4885ALDH1A1 133/4885MAPK1 1479/4885

“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.