SCHEMBL3191376

SCHEMBL3191376

CC(C)[C@H]1CC[C@@](C)(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.44
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
STAT6 P42226 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APLNR P35414 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 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
SCHEMBL6064720 1.00 FFAR3 (0.44) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL4539886 1.00 FFAR3 (0.44) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL3191388 1.00 FFAR3 (0.44) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL3187205 1.00 FFAR3 (0.44) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL6064722 1.00 FFAR3 (0.44) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL2701836 0.88 FFAR3 (0.54) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL663384 0.88 FFAR3 (0.54) FFAR3MAPK1TP53NFKB1CYP2C19
Fluoride SCHEMBL10012083 0.86 FFAR3 (0.52) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL13889467 0.85 FFAR3 (0.48) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL13895566 0.85 FFAR3 (0.48) FFAR3MAPK1TP53NFKB1CYP2C19

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
US-7655614-B2 3-isopropyl-1-methylcyclopentyl derivatives and their use in fragrance applications GIVAUDAN SA (CH) 2010-02-02 US disclosed
EP-1668103-B1 3-ISOPROPYL-1-METHYLCYCLOPENTYL DERIVATIVES AND THEIR USE IN FRAGRANCE APPLICATIONS GIVAUDAN SA (CH) 2009-08-05 EP disclosed
EP-1668102-B1 3-ISOPROPYL-1-METHYLCYCLOPENTYL DERIVATIVES AND THEIR USE IN FRAGRANCE APPLICATIONS GIVAUDAN SA (CH) 2007-10-31 EP disclosed
US-20070082837-A1 3-Isopropyl-1-methylcyclopentyl derivatives and their use in fragrance applications GIVAUDAN SA (CH) 2007-04-12 US disclosed
US-20070054836-A1 3-Isopropyl-1-methylcyclopentyl derivatives and their use in fragrance applications GIVAUDAN S.A. (CH) 2007-03-08 US disclosed
EP-1668102-A1 3-ISOPROPYL-1-METHYLCYCLOPENTYL DERIVATIVES AND THEIR USE IN FRAGRANCE APPLICATIONS Givaudan SA (CH) 2006-06-14 EP disclosed
WO-2005030914-A1 3-ISOPROPYL-1-METHYLCYCLOPENTYL DERIVATIVES AND THEIR USE IN FRAGRANCE APPLICATIONS GIVAUDAN SA (CH) 2005-04-07 WO 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 (1 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-20070082837-A1 3-Isopropyl-1-methylcyclopentyl derivatives and their use in fragrance applications TRPV1, TRPA1, CYP51A1 FFAR3 723/4885MAPK1 4161/4885TP53 2321/4885

“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.