SCHEMBL116339

SCHEMBL116339

O=C(CCCl)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.67
ALDH1A1 P00352 3/20 0.67
GSK3B P49841 2/20 0.67
TRPA1 O75762 1/20 0.67
HIF1A Q16665 1/20 0.67
TDP1 Q9NUW8 3/20 0.64
MAPT P10636 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
LMNA P02545 2/20 0.64
NR4A2 P43354 1/20 0.64
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
CYP3A4 P08684 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
CES1 P23141 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HDAC1 Q13547 5/20 0.57
HDAC8 Q9BY41 5/20 0.57

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
Ethylene SCHEMBL11817466 0.96 MAPK1 (0.61) MAPK1ALDH1A1GSK3BTRPA1HIF1A
SCHEMBL9218253 0.87 SMN1; SMN2 (0.69) MAPK1ALDH1A1GSK3BTRPA1HIF1A
SCHEMBL318784 0.86 TDP1 (0.72) MAPK1ALDH1A1GSK3BTRPA1HIF1A
SCHEMBL719034 0.85 NR4A2 (0.85) MAPK1ALDH1A1GSK3BTRPA1HIF1A
SCHEMBL30121738 0.85 NR4A2 (0.85) MAPK1ALDH1A1GSK3BTRPA1HIF1A
SCHEMBL2238406 0.85 TDP1 (0.76) MAPK1ALDH1A1GSK3BTRPA1HIF1A
SCHEMBL29506825 0.85 TDP1 (0.69) MAPK1ALDH1A1GSK3BTRPA1HIF1A
SCHEMBL11374661 0.84 RAB9A (0.59) MAPK1ALDH1A1GSK3BTRPA1HIF1A
SCHEMBL633401 0.83 TDP1 (0.80) MAPK1ALDH1A1GSK3BTRPA1HIF1A
Ethylene SCHEMBL10973512 0.83 TDP1 (0.67) MAPK1ALDH1A1GSK3BTRPA1HIF1A

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 1188 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954624-A Method for efficiently synthesizing 3-chloro-propiophenone 山东极地医药科技有限公司 2025-05-09 CN claimed
CN-118685463-B Dapoxetine chiral intermediates of statins enzymatic synthesis of bodies 杭州微远生物科技有限公司 2025-04-25 CN claimed
CN-119614529-A Short-chain dehydrogenase, engineering bacteria and application thereof in asymmetric reduction of potential chiral carbonyl compounds 杭州文德阶生物科技有限公司 2025-03-14 CN claimed
CN-119595791-A Detection and analysis method for mutation-causing impurities in tomoxetine hydrochloride key starting material 3-chloropropanol 植恩生物技术股份有限公司 2025-03-11 CN claimed
CN-118771958-A Preparation method of R- (+) -3-chloropropanol 山东省药学科学院 2024-10-15 CN claimed
CN-118685463-A Dapoxetine chiral intermediates of statins enzymatic synthesis of bodies 杭州微远生物科技有限公司 2024-09-24 CN claimed
CN-117363667-B Use of imine reductase in preparation of dapoxetine intermediate and/or dapoxetine 欣雅利华生物技术(上海)有限公司 2024-03-22 CN claimed
CN-117451880-A Method for measuring dapoxetine hydrochloride impurity by using supercritical fluid chromatography 海南卓力制药有限公司 2024-01-26 CN claimed
CN-117363667-A Use of imine reductase in preparation of dapoxetine intermediate and/or dapoxetine 欣雅利华生物技术(上海)有限公司 2024-01-09 CN claimed
CN-117229194-A One-pot two-step lignin-based carbazole derivative synthesis method 中国科学院大连化学物理研究所 2023-12-15 CN claimed
US-20080207956-A1 Alkylation a corresponding alcoholic compound DUCHESNAY INC. (CA) 2008-08-28 US claimed
WO-2008099059-A1 METHOD FOR THE PREPARATION OF THERAPEUTICALLY VALUABLE TRIPHENYLBUTENE DERIVATIVES HORMOS MEDICAL LTD (FI) 2008-08-21 WO claimed
EP-1602369-A2 Bupropion Metabolites and Methods of their Synthesis and Use Sepracor, Inc. (US) 2005-12-07 EP claimed
US-20050096318-A1 Pharmaceutically active morpholinol GLAXOSMITHKLINE SPA (IT) 2005-05-05 US claimed
US-6855820-B2 Pharmaceutically active morpholinol SMITHKLINE BEECHAM CORPORATION (US) 2005-02-15 US claimed
EP-1259243-A2 BUPROPION METABOLITES AND METHODS OF THEIR SYNTHESIS AND USE SEPRACOR, INC. (US) 2002-11-27 EP claimed
US-20020052341-A1 Bupropion metabolites and methods of their synthesis and use SEPRACOR INC. 2002-05-02 US claimed
WO-2001062257-A2 BUPROPION METABOLITES AND METHODS OF THEIR SYNTHESIS AND USE SEPRACOR INC. (US) 2001-08-30 WO claimed
EP-0038071-B1 NEW UNLABELLED AND RADIOACTIVE LABELLED DERIVATIVES OF BUTYLAMINO PROPIOPHENONE, THEIR PREPARATION, IMMUNOGENS OBTAINED FROM THE UNLABELLED DERIVATIVES AND A PROCESS FOR IMMUNOGEN PREPARATION, ANTISERA RAISED USING THE IMMUNOGENS AND A METHOD FOR RAISING ANTISERA, A RADIOIMMUNOASSAY METHOD AND A TEST KIT FOR USE IN THE ASSAY METHOD THE WELLCOME FOUNDATION LIMITED (GB) 1984-11-14 EP claimed
US-4025580-A ACYLATION IN PRESENCE OF LEWIS ACID CATALYST; BIODEGRADABLE PACKAGING OWENS-ILLINOIS, INC. (US) 1977-05-24 US 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 (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-20020052341-A1 Bupropion metabolites and methods of their synthesis and use MAOB, MAOA, HTR5A MAPK1 1996/4885ALDH1A1 447/4885GSK3B 476/4885
US-20050096318-A1 Pharmaceutically active morpholinol ACHE, COMT, SNCA MAPK1 4119/4885ALDH1A1 1559/4885GSK3B 415/4885
US-20080207956-A1 Alkylation a corresponding alcoholic compound CYP2E1, PNMT, ADH1A MAPK1 2129/4885ALDH1A1 21/4885GSK3B 999/4885

“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.