SCHEMBL3360246

SCHEMBL3360246

CCC(=O)C=Cc1c(C)cccc1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.53
RAF1 P04049 1/20 0.37
CYP3A4 P08684 2/20 0.36
NFE2L2 Q16236 2/20 0.36
LMNA P02545 1/20 0.36
ABCB1 P08183 1/20 0.36
KMT2A Q03164 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
RAB9A P51151 1/20 0.35
BACE1 P56817 3/20 0.35
GPR52 Q9Y2T5 1/20 0.35
APP P05067 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2444205 1.00 IAPP (0.53) IAPPRAF1CYP3A4NFE2L2LMNA
SCHEMBL2438898 0.85 IAPP (0.57) IAPPRAF1KMT2ARAB9ABACE1
SCHEMBL2473150 0.85 IAPP (0.57) IAPPRAF1KMT2ARAB9ABACE1
SCHEMBL2439364 0.81 IAPP (0.46) IAPPCYP3A4NFE2L2LMNAABCB1
SCHEMBL2439365 0.81 IAPP (0.46) IAPPCYP3A4NFE2L2LMNAABCB1
SCHEMBL13287300 0.79 IAPP (0.60) IAPPNFE2L2LMNARAB9ABACE1
SCHEMBL2476699 0.79 IAPP (0.60) IAPPNFE2L2LMNARAB9ABACE1
SCHEMBL3362442 0.79 IAPP (0.60) IAPPNFE2L2LMNARAB9ABACE1
SCHEMBL27832643 0.79 IAPP (0.60) IAPPNFE2L2LMNARAB9ABACE1
SCHEMBL2059378 0.78 HCAR2 (0.50) KMT2AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300550-A Perfume systems 2011-12-28 CN 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 IAPP 3778/4885RAF1 719/4885CYP3A4 364/4885
US-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 IAPP 3778/4885RAF1 719/4885CYP3A4 364/4885

“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.