SCHEMBL2438993

SCHEMBL2438993

CCOC(=O)[C@](C)(CC=C(C)C)C(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.39
PKM P14618 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.33
PIN1 Q13526 1/20 0.33
BTN3A1 O00481 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GLO1 Q04760 1/20 0.32
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABCB11 O95342 1/20 0.31

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
SCHEMBL13287418 1.00 MMP8 (0.39) MMP8PKMKDM4EALDH1A1LMNA
SCHEMBL335584 0.89 PKM (0.43) MMP8PKMKDM4EALDH1A1LMNA
SCHEMBL3737736 0.86 MMP8 (0.41) MMP8PKMKDM4EALDH1A1LMNA
SCHEMBL11136882 0.84 MMP8 (0.40) MMP8PKMKDM4EALDH1A1LMNA
SCHEMBL10655712 0.82 CYP4F2 (0.46) MMP8PKMKDM4EALDH1A1LMNA
SCHEMBL10836337 0.75 PKM (0.41) MMP8PKMKDM4EALDH1A1LMNA
SCHEMBL10836349 0.75 PKM (0.41) MMP8PKMKDM4EALDH1A1LMNA
SCHEMBL10836355 0.75 PKM (0.41) MMP8PKMKDM4EALDH1A1LMNA
SCHEMBL3743133 0.74 MEN1 (0.45) MMP8PKMKDM4ETHRBHTT
SCHEMBL14815133 0.73 ALOX15 (0.47) ALDH1A1KMT2A

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 7 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-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

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 MMP8 572/4885PKM 196/4885KDM4E 4669/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 MMP8 572/4885PKM 196/4885KDM4E 4669/4885

“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.