SCHEMBL2442779

SCHEMBL2442779

CC(C)=CCC1(C(=O)C(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
ACHE P22303 2/20 0.35
PTGES O14684 2/20 0.32
NR1I2 O75469 1/20 0.32
CYP3A4 P08684 1/20 0.32
DLAT P10515 1/20 0.32
MAPT P10636 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
AKR1B10 O60218 1/20 0.30
KMT2A Q03164 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL2439186 0.92 ALOX5 (0.36) ALOX5ACHEPTGESNR1I2CYP3A4
SCHEMBL2439756 0.92 ALOX5 (0.36) ALOX5ACHEPTGESNR1I2CYP3A4
SCHEMBL2438996 0.91 ALOX5 (0.35) ALOX5ACHEPTGESNR1I2CYP3A4
SCHEMBL2474924 0.83 XDH (0.33) ALOX5ACHESLC6A2SLC6A4SLC6A3
SCHEMBL2444538 0.83 XDH (0.33) ALOX5ACHESLC6A2SLC6A4SLC6A3
SCHEMBL1699024 0.79 ALOX5 (0.32) ALOX5KDM4E
SCHEMBL2439244 0.77 ALOX5 (0.37) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL23803960 0.77 CYP2C19 (0.35) ALOX5KDM4E
SCHEMBL2474464 0.77 XDH (0.32) ALOX5ACHESLC6A2SLC6A4SLC6A3
SCHEMBL2474462 0.77 XDH (0.32) ALOX5ACHESLC6A2SLC6A4SLC6A3

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 ALOX5 191/4885ACHE 69/4885PTGES 34/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 ALOX5 191/4885ACHE 69/4885PTGES 34/4885

“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.