SCHEMBL4937595

SCHEMBL4937595

CC(=O)/C=C(/C)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NLRP1 Q9C000 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL6157592 1.00 CES2 (0.50) CES2CES1ALOX15TSHRPTGS1
SCHEMBL4937598 1.00 CES2 (0.50) CES2CES1ALOX15TSHRPTGS1
SCHEMBL6938875 0.85 NR4A1 (0.59) CES2CES1ALOX15TSHRPTGS1
SCHEMBL28428071 0.85 NR4A1 (0.59) CES2CES1ALOX15TSHRPTGS1
SCHEMBL11715598 0.85 CES2 (0.48) CES2CES1ALOX15TSHRPTGS1
SCHEMBL11822730 0.85 ALDH1A1 (0.53) CES2CES1ALOX15TSHRPTGS1
SCHEMBL11822738 0.85 ALDH1A1 (0.53) CES2CES1ALOX15TSHRPTGS1
Bromide SCHEMBL11813077 0.83 ALDH1A1 (0.51) CES2CES1ALOX15TSHRPTGS1
Bromide SCHEMBL11813070 0.83 ALDH1A1 (0.51) CES2CES1ALOX15TSHRPTGS1
SCHEMBL9510583 0.83 LMNA (0.47) CES2CES1ALOX15TSHRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1783115-B1 ARYLAMINE KETONES, THEIR PREPARATION METHODS, THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE INST MATERIA MEDICA CAMS (CN) 2016-07-13 EP disclosed
US-8524744-B2 preventing and/or treating the diseases related to the plaque-activating factors, especially in anti-inflammation and immunization, more especially in the treatment of the acute or chronic inflammation, such as, osteoarthritis, oarthritis deformans, etc. INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-09-03 US disclosed
US-20080221106-A1 Arylamine Ketones, Their Preparation Methods, The Pharmaceutical Composition Containing Them And Their Use INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2008-09-11 US disclosed
CN-101146772-A Arylamine ketone compound, synthesis method thereof, pharmaceutical composition containing arylamine ketone compound and application of arylamine ketone compound INST MATERIA MEDICA CAMS (CN) 2008-03-19 CN disclosed
EP-1783115-A1 ARYLAMINE KETONES, THEIR PREPARATION METHODS, THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2007-05-09 EP disclosed
EP-1286955-B1 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2005-02-02 EP disclosed
EP-1286955-A1 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES Dow AgroSciences LLC (US) 2003-03-05 EP disclosed
US-6348627-B1 CONTROLLING PHYTOPATHOGENIC FUNGI DOW AGROSCIENCES LLC 2002-02-19 US disclosed
WO-2001087826-A1 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES ROHM AND HAAS COMPANY (US) 2001-11-22 WO 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-20080221106-A1 Arylamine Ketones, Their Preparation Methods, The Pharmaceutical Composition Containing Them And Their Use AHR, KYNU, AADAC CES2 4241/4885CES1 555/4885ALOX15 782/4885

“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.