SCHEMBL2440971

SCHEMBL2440971

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
ALOX15 P16050 3/20 0.35
TSHR P16473 1/20 0.34
CHRM1 P11229 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 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
SCHEMBL10878954 1.00 GRIK1 (0.41) GRIK1GRIK2FNTAFNTBALOX15
SCHEMBL132111 0.82 GRIK1 (0.48) GRIK1GRIK2FNTAFNTBALDH1A1
SCHEMBL14815598 0.81 FNTA (0.62) FNTAFNTBALOX15ALDH1A1KDM4E
SCHEMBL13287299 0.80 GRIK1 (0.38) GRIK1GRIK2FNTAFNTBALOX15
SCHEMBL2439848 0.80 GRIK1 (0.38) GRIK1GRIK2FNTAFNTBALOX15
SCHEMBL12910672 0.80 FNTA (0.32) FNTAFNTBCHRM1
SCHEMBL14815690 0.80 FNTA (0.66) FNTAFNTBALOX15ALDH1A1KDM4E
SCHEMBL10036411 0.80 FNTA (0.66) FNTAFNTBALOX15ALDH1A1KDM4E
SCHEMBL11552541 0.80 FNTA (0.66) FNTAFNTBALOX15ALDH1A1KDM4E
SCHEMBL445648 0.78 GRIK1 (0.37) GRIK1GRIK2FNTAFNTBALOX15

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 GRIK1 3842/4885GRIK2 3444/4885FNTA 3984/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 GRIK1 3842/4885GRIK2 3444/4885FNTA 3984/4885

“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.