SCHEMBL2439909

SCHEMBL2439909

CCCCC(=O)C(C)(C)CC=C(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.39
CES1 P23141 9/20 0.39
CES2 O00748 3/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
CA1 P00915 1/20 0.34
MAPK1 P28482 1/20 0.34
PLA2G4B P0C869 1/20 0.34
MAPT P10636 1/20 0.34
PLA2G4A P47712 1/20 0.34
BLM P54132 1/20 0.34
MGLL Q99685 1/20 0.34
PLA2G4C Q9UP65 1/20 0.34

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
SCHEMBL17106296 0.81 FAAH (0.37) FAAHCES1CES2MEN1CYP1A2
SCHEMBL17106298 0.81 FAAH (0.37) FAAHCES1CES2MEN1CYP1A2
SCHEMBL17106276 0.81 ALOX15 (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL17106295 0.81 FAAH (0.37) FAAHCES1CES2MEN1CYP1A2
SCHEMBL2438894 0.79 MAPK1 (0.38) MEN1KMT2AALDH1A1MAPK1
SCHEMBL3768339 0.78 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL10351157 0.75 TRPA1 (0.40) FAAHCES1CES2CYP1A2HSD17B10
SCHEMBL10351158 0.75 TRPA1 (0.40) FAAHCES1CES2CYP1A2HSD17B10
SCHEMBL464492 0.74 FAAH (0.48) FAAHCES1CES2MEN1CYP1A2
SCHEMBL17106359 0.72 MAPK1 (0.41) MEN1KMT2AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300550-A Perfume systems 2011-12-28 CN claimed
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-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-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
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 FAAH 29/4885CES1 753/4885CES2 28/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 FAAH 29/4885CES1 753/4885CES2 28/4885

“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.