SCHEMBL2442055

SCHEMBL2442055

CC(c1ccccc1)C(C)(C)C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
TSHR P16473 1/20 0.40
RIPK1 Q13546 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
AOC3 Q16853 1/20 0.37
CACNA1F O60840 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
OPRK1 P41145 1/20 0.37
CACNA1D Q01668 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1S Q13698 1/20 0.37

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
SCHEMBL2442058 1.00 TRPA1 (0.40) TRPA1TSHRRIPK1KDM4EALDH1A1
SCHEMBL2442061 1.00 TRPA1 (0.40) TRPA1TSHRRIPK1KDM4EALDH1A1
SCHEMBL8855642 0.80 TSHR (0.41) TRPA1TSHRRIPK1KDM4EALDH1A1
SCHEMBL27168800 0.80 TSHR (0.41) TRPA1TSHRRIPK1KDM4EAOC3
SCHEMBL9741613 0.78 LMNA (0.41) TRPA1TSHRRIPK1KDM4ECACNA1F
SCHEMBL23182383 0.77 TRPA1 (0.39) TRPA1TSHRRIPK1KDM4EAOC3
SCHEMBL2260572 0.77 TRPA1 (0.48) TRPA1TSHRRIPK1KDM4EAOC3
SCHEMBL27532534 0.75 CYP2D6 (0.54) TRPA1TSHRRIPK1KDM4EALDH1A1
SCHEMBL27907291 0.75 RIPK1 (0.43) RIPK1KDM4EALDH1A1AOC3CACNA1F
SCHEMBL18470550 0.74 TAAR1 (0.50) TSHRRIPK1KDM4EHSD17B10AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US claimed
EP-2362765-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2020-04-08 EP disclosed
US-8431520-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2013-04-30 US disclosed
US-8431520-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2013-04-30 US disclosed
US-20130012422-A1 PERFUME SYSTEMS SMETS JOHAN (BE) 2013-01-10 US disclosed
US-20130012422-A1 PERFUME SYSTEMS SMETS JOHAN (BE) 2013-01-10 US disclosed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US disclosed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 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 (2 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-20130012422-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 TRPA1 1/4885TSHR 4772/4885RIPK1 2398/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 TRPA1 1/4885TSHR 4772/4885RIPK1 2398/4885

“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.