SCHEMBL1002950

SCHEMBL1002950

Cc1ccc(C(C)C)cc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.52
PTGS1 P23219 1/20 0.52
CACNA1C Q13936 1/20 0.52
LMNA P02545 2/20 0.48
BCHE P06276 4/20 0.43
ACHE P22303 4/20 0.43
SIRT3 Q9NTG7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KIF11 P52732 1/20 0.40

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
SCHEMBL13254982 0.87 SIRT3 (0.42) TRPA1PTGS1CACNA1CSIRT3TDP1
SCHEMBL13254974 0.87 SIRT3 (0.42) TRPA1PTGS1CACNA1CSIRT3TDP1
SCHEMBL13254984 0.87 SIRT3 (0.42) TRPA1PTGS1CACNA1CSIRT3TDP1
Hydrochloric Acid SCHEMBL16370500 0.85 TDP1 (0.41) TRPA1PTGS1CACNA1CSIRT3TDP1
SCHEMBL12030862 0.85 TRPA1 (0.47) TRPA1PTGS1CACNA1CLMNABCHE
SCHEMBL30619865 0.84 TRPA1 (0.55) TRPA1PTGS1CACNA1CLMNABCHE
SCHEMBL3210024 0.82 TRPA1 (0.53) TRPA1PTGS1CACNA1CLMNABCHE
SCHEMBL14132618 0.82 TRPA1 (0.53) TRPA1PTGS1CACNA1CLMNABCHE
SCHEMBL20364502 0.81 HSP90AA1 (0.44) TRPA1PTGS1CACNA1CTDP1HSP90AA1
SCHEMBL14570448 0.81 HSP90AA1 (0.58) TRPA1PTGS1CACNA1CLMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US claimed
WO-2023091768-A1 CELL-POTENT BISUBSTRATE INHIBITORS FOR NICOTINAMIDE N-METHYLTRANSFERASE (NNMT) AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2023-05-25 WO disclosed
US-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 US disclosed
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 US disclosed
US-8377639-B2 Compounds for modulating RNA binding proteins and uses therefor UNIVERSITY OF MASSACHUSETTS (US) 2013-02-19 US disclosed
US-20110065704-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-17 US disclosed
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 WO disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 US disclosed
WO-2010151797-A2 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR UNIVERSITY OF MASSACHUSETTS (US) 2010-12-29 WO disclosed
CN-101218199-A New compounds i ASTRAZENECA AB (SE) 2008-07-09 CN 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B TRPA1 149/4885PTGS1 1848/4885CACNA1C 1802/4885
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS IMPDH1, IMPDH2, IMPA1 TRPA1 1903/4885PTGS1 227/4885CACNA1C 4631/4885
US-20110065704-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR TIA1, ZFP3, RBM3 TRPA1 754/4885PTGS1 1866/4885CACNA1C 3878/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B TRPA1 149/4885PTGS1 1848/4885CACNA1C 1802/4885

“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.