SCHEMBL717611

SCHEMBL717611

CC(C=O)c1ccccc1.CC(C=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.47
CYP2D6 P10635 2/20 0.44
KMT2A Q03164 2/20 0.41
TAAR1 Q96RJ0 4/20 0.41
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SRC P12931 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL111850 1.00 TRPA1 (0.47) TRPA1CYP2D6KMT2ATAAR1ADRA2A
SCHEMBL60688 1.00 TRPA1 (0.47) TRPA1CYP2D6KMT2ATAAR1ADRA2A
SCHEMBL292576 1.00 TRPA1 (0.47) TRPA1CYP2D6KMT2ATAAR1ADRA2A
SCHEMBL7268271 0.97 TRPA1 (0.45) TRPA1CYP2D6KMT2ATAAR1ADRA2A
Methane SCHEMBL17748810 0.97 TRPA1 (0.45) TRPA1CYP2D6KMT2ATAAR1ADRA2A
Fluoride SCHEMBL28047949 0.97 TRPA1 (0.45) TRPA1CYP2D6KMT2ATAAR1ADRA2A
Dimethylamine SCHEMBL27923078 0.93 TRPA1 (0.42) TRPA1CYP2D6KMT2ATAAR1ADRA2C
Alcohol SCHEMBL8614635 0.89 TRPA1 (0.55) TRPA1CYP2D6KMT2ATAAR1LMNA
Ethylamine SCHEMBL29180064 0.89 TAAR1 (0.48) TRPA1TAAR1ADRA2AADRA2CLMNA
SCHEMBL7648681 0.89 CYP2D6 (0.52) TRPA1CYP2D6KMT2ALMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748208-B1 PHOTOLABILE LATEX FOR THE RELEASE OF PERFUMES FIRMENICH & CIE (CH) 2016-06-22 EP claimed
EP-4077446-B1 POLYIMINES AND USES THEREOF BOSTIK SA (FR) 2023-08-23 EP disclosed
US-8816037-B2 Asymmetric dialdimine-containing polyurethane composition SIKA TECHNOLOGY AG (CH) 2014-08-26 US disclosed
US-8398809-B2 Amorphous polyurethane polymer and its use in hotmelt adhesives SIKA TECHNOLOGY AG (CH) 2013-03-19 US disclosed
US-8124578-B2 Use of dynamic mixtures for a controlled release of fragrances FIRMENICH SA (CH) 2012-02-28 US disclosed
US-20110214810-A1 HYDROXYALDIMINE-CONTAINING POLYURETHANE COMPOSITION SIKA TECHNOLOGY AG (CH) 2011-09-08 US disclosed
US-20110198030-A1 POLYURETHANE COMPOSITION THAT CONTAINS ALPHA-SILANE AND THAT HAS ANISOTROPIC MATERIAL PROPERTIES SIKA TECHNOLOGY AG (CH) 2011-08-18 US disclosed
US-20110198031-A1 POLYURETHANE COMPOSITION THAT CONTAINS ORGANOMETHOXYSILANE AND HAS ANISOTROPIC MATERIAL PROPERTIES SIKA TECHNOLOGHY AG (CH) 2011-08-18 US disclosed
WO-2011056935-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed
US-20100273008-A1 POLYURETHANE POLYMER FOR REVERSIBLE ADHESIVE BONDS SIKA TECHNOLOGY AG (CH) 2010-10-28 US disclosed
US-20100032074-A1 DIALDIMINE, EMULSION CONTAINING DIALDIMINE, AND BICOMPONENT POLYURETHANE COMPOSITION, AND THE USE THEREOF SIKA TECHNOLOGY AG (CH) 2010-02-11 US disclosed
US-20100021743-A1 ASYMMETRIC DIALDIMINE-CONTAINING POLYURETHANE COMPOSITION SIKA TECHNOLOGY AG (CH) 2010-01-28 US disclosed
US-20100006221-A1 Amorphous polyurethane polymer and its use in hotmelt adhesives SIKA TECHNOLOGY AG (CH) 2010-01-14 US disclosed
US-20090068479-A1 Moisture-reactive adhesive compositions with very low temperature dependency of the shear modulus SIKA TECHNOLOGY AG (CH) 2009-03-12 US disclosed
US-20070141011-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES UNIVERSITE LOUIS PASTEUR (FR) 2007-06-21 US 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 (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-20100032074-A1 DIALDIMINE, EMULSION CONTAINING DIALDIMINE, AND BICOMPONENT POLYURETHANE COMPOSITION, AND THE USE THEREOF ACMSD, CCNY, DDT TRPA1 330/4885CYP2D6 2454/4885KMT2A 1788/4885
US-20110214810-A1 HYDROXYALDIMINE-CONTAINING POLYURETHANE COMPOSITION ADH1A, ODC1, ADH1C TRPA1 1599/4885CYP2D6 4021/4885KMT2A 420/4885
US-20070141011-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES TRPA1, HCN1, HCN4 TRPA1 1/4885CYP2D6 311/4885KMT2A 3021/4885

“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.