SCHEMBL3380393

SCHEMBL3380393

CCC(Br)C(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.57
HIF1A Q16665 2/20 0.55
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 7/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
PKM P14618 1/20 0.47
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL18905169 0.87 HIF1A (0.54) HIF1AALDH1A1KDM4EHPGDALOX15
SCHEMBL17269428 0.85 HDAC3 (0.55) HPGDALOX15HSD17B10MAPTLMNA
SCHEMBL22721391 0.85 GSK3B (0.56) GSK3BHIF1AALDH1A1KDM4EHPGD
SCHEMBL28720693 0.84 GSK3B (0.55) GSK3BHIF1AALDH1A1KDM4EHPGD
SCHEMBL20543169 0.84 GSK3B (0.55) GSK3BHIF1AALDH1A1KDM4EHPGD
SCHEMBL28543600 0.84 HIF1A (0.56) GSK3BHIF1AALDH1A1KDM4EHPGD
SCHEMBL28002211 0.83 GSK3B (0.51) GSK3BHIF1AALDH1A1KDM4EHPGD
SCHEMBL3235361 0.83 GSK3B (0.61) GSK3BHIF1AALDH1A1KDM4EHPGD
SCHEMBL307839 0.82 GSK3B (0.54) GSK3BHIF1AALDH1A1KDM4EHPGD
SCHEMBL28810975 0.81 HIF1A (0.57) GSK3BHIF1AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109721566-B Preparation method of 1- (4-morpholine phenyl) -1-butanone 天津久日新材料股份有限公司 2022-03-22 CN disclosed
US-9957402-B2 Compound, active energy ray curable composition, cured article thereof, printing ink, and inkjet recording ink DIC CORPORATION (JP) 2018-05-01 US disclosed
US-9957402-B2 Compound, active energy ray curable composition, cured article thereof, printing ink, and inkjet recording ink DIC CORPORATION (JP) 2018-05-01 US disclosed
US-20170152391-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK DIC CORPORATION (JP) 2017-06-01 US disclosed
US-20170152391-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK DIC CORPORATION (JP) 2017-06-01 US disclosed
US-20170152391-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK DIC CORPORATION (JP) 2017-06-01 US disclosed
CN-106414398-A Compound, active energy ray-curable composition, cured product thereof, printing ink, and ink for inkjet recording DIC株式会社 2017-02-15 CN disclosed
WO-2015174402-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK DIC株式会社 2015-11-19 WO disclosed
CN-103360272-A Quaternary ammonium salt preparation method and application thereof BEIJING INSIGHT HIGH TECHNOLOGY CO LTD 2013-10-23 CN disclosed
EP-1468994-B1 Process for preparing cyclic amine substituted phenyl-alkyl-ketones BASF SE (DE) 2010-11-24 EP disclosed
EP-0805152-B1 Cyclic amine substituted phenyl-alkyl-ketone and process for its preparation CIBA SC HOLDING AG (CH) 2005-06-08 EP disclosed
EP-1468994-A1 Process for preparing cyclic amine substituted phenyl-alkyl-ketones Ciba SC Holding AG (CH) 2004-10-20 EP disclosed
CN-1168700-C Cyclic amine substd. phenylalkanone and preparing method thereof ϣ�����⻯ѧ�عɹ�˾ 2004-09-29 CN disclosed
CN-1072662-C Cyclic amine-substituted phenylalkyl ketones and process for their preparation CIBA SC HOLDING AG (CH) 2001-10-10 CN disclosed
CN-1309116-A Cyclic amine substd. phenylalkanone and preparing method thereof CIBA SC HOLDING AG (CH) 2001-08-22 CN disclosed
US-6191182-B1 SUBJECTING P-HALOPHENYL ALKYL KETONE TO AMINOLYSIS WITH CYCLIC SECONDARY AMINE TO FORM CYCLIC AMINE-SUBSTITUTED PHENYL ALKYL KETONE; HALOGINATION AND REACTING WITH AMINE COMPOUND; STEVENS REARRANGEMENT UNDER BASIC CONDITION CIBA SPECIALTY CHEMCIALS CORPORATION 2001-02-20 US disclosed
US-5977357-A Phenyl alkyl ketone substituted by cyclic amine and a process for the preparation thereof CIBA SPECIALTY CHEMICAL CORPORATION (US) 1999-11-02 US disclosed
US-5795985-A Phenyl alkyl ketone substituted by cyclic amine and a process for the preparation thereof CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-08-18 US disclosed
CN-1166487-A Cyclic amine-substituted phenylalkyl ketones and process for their preparation CIBA GEIGY AG (CH) 1997-12-03 CN disclosed
EP-0805152-A2 Cyclic amine substituted phenyl-alkyl-ketone and process for its preparation Ciba SC Holding AG (CH) 1997-11-05 EP 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 (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-20170152391-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK CCNT1, EIF4A1, MARK1 GSK3B 241/4885HIF1A 3341/4885ALDH1A1 76/4885

“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.