SCHEMBL2436360

SCHEMBL2436360

CC(=O)C1(CC=C(C)C)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL2442060 0.98 CYP2C19 (0.34) CYP2C19CYP4F2CYP4A11
SCHEMBL2439508 0.94 ALOX5 (0.30) CYP2C19
SCHEMBL1699024 0.89 ALOX5 (0.32)
Formaldehyde SCHEMBL9992198 0.85 ALOX5 (0.33)
SCHEMBL2439191 0.82 CYP2C19 (0.34) CYP2C19
SCHEMBL2438996 0.81 ALOX5 (0.35) CYP2C19
SCHEMBL2439511 0.80 CYP2C19 (0.31) CYP2C19
SCHEMBL9688989 0.79 CYP2C19 (0.42) CYP2C19
SCHEMBL2439756 0.79 ALOX5 (0.36) CYP2C19
SCHEMBL27832700 0.77 LMNA (0.32)

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 CYP2C19 371/4885TP53 966/4885MEN1 3918/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 CYP2C19 371/4885TP53 966/4885MEN1 3918/4885

“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.