SCHEMBL17244237

SCHEMBL17244237

C#CC(=O)c1cccc(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.65
CES1 P23141 1/20 0.65
PARP1 P09874 1/20 0.61
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
XBP1 P17861 1/20 0.50

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
SCHEMBL10897886 0.84 CES2 (0.67) CES2CES1PARP1NPC1RAB9A
SCHEMBL20565616 0.81 ALDH1A1 (0.46) CES2CES1PARP1NPC1RAB9A
SCHEMBL24081297 0.81 CES2 (0.62) CES2CES1PARP1NPC1RAB9A
SCHEMBL12045722 0.81 KMT2A (0.53) KMT2APRSS1MAPK1MAOB
SCHEMBL12045718 0.81 NR4A2 (0.45) CES2CES1NPC1RAB9AKMT2A
SCHEMBL31599171 0.80 L3MBTL1 (0.46) CES2CES1PARP1TSHRALDH1A1
SCHEMBL31599174 0.79 PARP10 (0.58) NPC1RAB9ANPSR1PKMKDM4E
SCHEMBL2156482 0.79 CES2 (1.00) CES2CES1PARP1NPC1RAB9A
SCHEMBL31414638 0.79 CES2 (0.77) CES2CES1PARP1NPC1RAB9A
SCHEMBL4823687 0.79 CES2 (0.77) CES2CES1PARP1NPC1RAB9A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127215-A1 A COPPER-CATALYZED METHOD AND APPLICATION FOR PREPARING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN AS AN OXIDANT FUDAN UNIVERSITY (CN) 2022-04-28 US disclosed
EP-3943487-A1 TRPM8 RECEPTOR AGONIST COMPOUNDS AND USES THEREOF Universidad Miguel Hernández de Elche (ES) 2022-01-26 EP disclosed
CN-113735868-A Synthesis method of pyrano [3,2-b ] indole-2-ketone compound 西北工业大学 2021-12-03 CN disclosed
EP-3406600-B1 TRPM8 RECEPTOR AGONIST COMPOUNDS AND USES THEREOF UNIV MIGUEL HERNANDEZ DE ELCHE (ES) 2021-03-31 EP disclosed
US-10905679-B2 TRPM8 receptor agonist compounds and uses thereof UNIVERSIDAD MIGUEL HERNANDEZ DE ELCHE (ES) 2021-02-02 US disclosed
WO-2020156238-A1 COPPER-CATALYZED METHOD FOR PREPARING ALDEHYDE OR KETONE COMPOUND BY OXIDIZING ALCOHOL BY USING OXYGEN AS OXIDANT, AND APPLICATION THEREOF 复旦大学 2020-08-06 WO disclosed
US-20190022068-A1 TRPM8 RECEPTOR AGONIST COMPOUNDS AND USES THEREOF UNIVERSIDAD MIGUEL HERNANDEZ DE ELCHE (ES) 2019-01-24 US disclosed
EP-3406600-A1 TRPM8 RECEPTOR AGONIST COMPOUNDS AND USES THEREOF Universidad Miguel Hernandez De Elche (ES) 2018-11-28 EP disclosed
EP-2942345-B1 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES FOR THE TREATMENT OF CANCER COUNCIL SCIENT IND RES (IN) 2018-03-28 EP disclosed
US-9487482-B2 3,4,5-trimethoxystyrylarylaminopropenones as potential anticancer agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-11-08 US disclosed
US-9487482-B2 3,4,5-trimethoxystyrylarylaminopropenones as potential anticancer agents COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-11-08 US disclosed
US-20150322009-A1 NOVEL 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES AS POTENTIAL ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-11-12 US disclosed
US-20150322009-A1 NOVEL 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES AS POTENTIAL ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-11-12 US disclosed
EP-2942345-A1 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES for the treatment of cancer Council of Scientific and Industrial Research (IN) 2015-11-11 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 (4 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-20190022068-A1 TRPM8 RECEPTOR AGONIST COMPOUNDS AND USES THEREOF TRPM8, TRPM7, TRPM5 CES2 2330/4885CES1 2191/4885PARP1 4310/4885
US-10905679-B2 TRPM8 receptor agonist compounds and uses thereof TRPM8, TRPM7, TRPM5 CES2 2330/4885CES1 2191/4885PARP1 4310/4885
US-20220127215-A1 A COPPER-CATALYZED METHOD AND APPLICATION FOR PREPARING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN AS AN OXIDANT SOD1, ALDH2, AOC2 CES2 127/4885CES1 764/4885PARP1 3642/4885
US-20150322009-A1 NOVEL 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES AS POTENTIAL ANTICANCER AGENTS MCL1, HCCS, CASP3 CES2 1126/4885CES1 596/4885PARP1 491/4885

“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.