SCHEMBL116338

SCHEMBL116338

CCC(=O)c1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.61
FEN1 P39748 1/20 0.61
PARP1 P09874 1/20 0.57
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
CXCR3 P49682 1/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.46
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
ITGA5 P08648 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
SLC6A2 P23975 1/20 0.46
CHRNB4 P30926 1/20 0.46

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
Tert-Butylamine SCHEMBL3326036 0.88 PARP1 (0.50) ERCC5FEN1PARP1ALDH1A1HPGD
SCHEMBL18184926 0.87 ERCC5 (0.56) ERCC5FEN1PARP1ALDH1A1HPGD
SCHEMBL28016993 0.86 ERCC5 (0.51) ERCC5FEN1PARP1ALDH1A1HPGD
SCHEMBL8020335 0.86 SLC6A2 (0.50) ERCC5FEN1PARP1ALDH1A1HPGD
SCHEMBL14982193 0.85 ERCC5 (0.63) ERCC5FEN1PARP1ALDH1A1HPGD
SCHEMBL10389972 0.85 SMN1; SMN2 (0.54) ALDH1A1HPGDMAPTGAAHTT
SCHEMBL634434 0.85 ERCC5 (0.57) ERCC5FEN1PARP1ALDH1A1HPGD
SCHEMBL11791699 0.83 ERCC5 (0.76) ERCC5FEN1PARP1HPGDMAPT
SCHEMBL29962144 0.83 ERCC5 (0.76) ERCC5FEN1PARP1HPGDMAPT
SCHEMBL3406445 0.83 ERCC5 (0.46) ERCC5FEN1PARP1ALDH1A1HPGD

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 1098 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-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-114193867-B Preparation method of asphalt-based pre-laid waterproof coiled material 唐山凯伦新材料科技有限公司 2024-05-17 CN claimed
CN-117886683-A Preparation method of m-chloropropiophenone 山东德澳精细化学品有限公司 2024-04-16 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-101088985-A Amfebutamone hydrochloride synthesizing process ZHEJIANG PULUO MEDICINE SCI TE (CN) 2007-12-19 CN 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
WO-2004024674-A1 PROCESS FOR THE PREPARATION OF BUPROPION HYDROCHLORIDE EOS ECZACIBASI OZGUN KIMYASAL URUNLER SANAYI VE TICARET A.S. (TR) 2004-03-25 WO 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
WO-1994003433-A1 BIOLOGICAL APPLICATIONS OF ALKALOIDS DERIVED FROM THE TUNICATE EUDISTOMA sp. THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-02-17 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

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

For each of this compound's patents that has machine-readable text (2 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 ERCC5 1189/4885FEN1 2462/4885PARP1 3069/4885
US-20050096318-A1 Pharmaceutically active morpholinol ACHE, COMT, SNCA ERCC5 3385/4885FEN1 3827/4885PARP1 4231/4885

“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.