SCHEMBL2439657

SCHEMBL2439657

CCC(C)C(=O)C1(Cc2ccccc2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MCHR1 Q99705 1/20 0.35

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
SCHEMBL2467153 1.00 POLB (0.44) POLBKMT2AALDH1A1MEN1MAPK1
SCHEMBL2467151 1.00 POLB (0.44) POLBKMT2AALDH1A1MEN1MAPK1
SCHEMBL2444534 0.88 POLB (0.44) POLBKMT2AALDH1A1MEN1MAPK1
SCHEMBL3363739 0.80 POLB (0.48) POLBKMT2AALDH1A1MEN1MAPK1
SCHEMBL26121083 0.78 POLB (0.46) POLBKMT2AALDH1A1MEN1MAPK1
SCHEMBL2440415 0.78 POLB (0.46) POLBKMT2AALDH1A1MEN1MAPK1
SCHEMBL27851011 0.77 POLB (0.46) POLBKMT2AALDH1A1MEN1MAPK1
SCHEMBL5071522 0.76 POLB (0.45) POLBKMT2AALDH1A1MEN1MAPK1
SCHEMBL2439664 0.75 POLB (0.44) POLBKMT2AALDH1A1MEN1MAPK1
SCHEMBL14327399 0.71 POLB (0.44) POLBKMT2AALDH1A1MEN1MAPK1

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 13 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-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 POLB 1054/4885KMT2A 4626/4885ALDH1A1 1194/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 POLB 1054/4885KMT2A 4626/4885ALDH1A1 1194/4885

“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.