SCHEMBL430424

SCHEMBL430424

CC=CC=CC=CC(=O)CCCCCCCCCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.63
KDM4E B2RXH2 1/20 0.58
POLB P06746 1/20 0.51
POLA1 P09884 1/20 0.51
PPARG P37231 6/20 0.50
PPARA Q07869 6/20 0.50
ALOX12 P18054 2/20 0.50
OXER1 Q8TDS5 3/20 0.46
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
APP P05067 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PPARD Q03181 4/20 0.43
TSHR P16473 3/20 0.43
GPR84 Q9NQS5 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43

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
SCHEMBL430423 1.00 TRPA1 (0.63) TRPA1KDM4EPOLBPOLA1PPARG
SCHEMBL29286043 0.98 TRPA1 (0.66) TRPA1KDM4EPOLBPOLA1PPARG
SCHEMBL11884223 0.91 TRPA1 (0.58) TRPA1KDM4EPOLBPOLA1PPARG
SCHEMBL19743405 0.90 TRPA1 (0.59) TRPA1KDM4EPOLBPOLA1PPARG
SCHEMBL887711 0.85 TRPA1 (0.63) TRPA1KDM4EPOLBPOLA1PPARG
SCHEMBL16040409 0.85 TRPA1 (0.63) TRPA1KDM4EPOLBPOLA1PPARG
SCHEMBL18730280 0.85 TRPA1 (0.63) TRPA1KDM4EPOLBPOLA1PPARG
SCHEMBL16040410 0.85 TRPA1 (0.63) TRPA1KDM4EPOLBPOLA1PPARG
SCHEMBL2135456 0.85 TRPA1 (0.63) TRPA1KDM4EPOLBPOLA1PPARG
SCHEMBL2540152 0.85 TRPA1 (0.63) TRPA1KDM4EPOLBPOLA1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507221-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO Aquinox Pharmaceuticals Inc. (CA) 2012-10-10 EP disclosed
US-8101605-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS INC. (CA) 2012-01-24 US disclosed
WO-2011069118-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2011-06-09 WO disclosed
US-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2011-06-09 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 (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-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1D, PTPRO, PPM1G TRPA1 2591/4885KDM4E 2971/4885POLB 4397/4885

“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.