SCHEMBL80851

SCHEMBL80851

CC1CCCC(C(C)C)(C(OCCO)C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39

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
SCHEMBL5420894 1.00 CYP1A2 (0.39) CYP1A2
SCHEMBL5420890 1.00 CYP1A2 (0.39) CYP1A2
SCHEMBL5426509 0.85 CYP1A2 (0.36) CYP1A2
SCHEMBL7702698 0.82 CYP1A2 (0.41) CYP1A2
SCHEMBL5435204 0.82 CYP1A2 (0.41) CYP1A2
SCHEMBL2295962 0.73 CYP1A2 (0.41) CYP1A2
SCHEMBL5326914 0.69 CYP1A2 (0.37) CYP1A2
SCHEMBL1897801 0.69 CYP1A2 (0.37) CYP1A2
SCHEMBL27966759 0.68 CYP1A2 (0.51) CYP1A2
SCHEMBL14994547 0.68 CYP1A2 (0.40) CYP1A2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014198366-A1 GLOVE WITH A COOLING EFFECT CARL FREUDENBERG KG (DE) 2014-12-18 WO claimed
EP-2276356-B1 WARMING SENSATE COMPOSITION FIRMENICH & CIE (CH) 2013-06-19 EP claimed
EP-2276356-A1 WARMING SENSATE COMPOSITION Firmenich S.A. (CH) 2011-01-26 EP claimed
US-20110015227-A1 WARMING SENSATE COMPOSITION FIRMENICH SA (CH) 2011-01-20 US claimed
JP-4608499-B2 2011-01-12 JP claimed
WO-2009127992-A1 WARMING SENSATE COMPOSITION FIRMENICH SA (CH) 2009-10-22 WO claimed
EP-1874132-A1 HOT FLAVOUR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2008-01-09 EP claimed
US-20080000614-A1 HOT FLAVOR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2008-01-03 US claimed
JP-2007516316-A 2007-06-21 JP claimed
WO-2006109241-A1 HOT FLAVOUR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2006-10-19 WO claimed
EP-1682641-A1 FLAVOR INGREDIENTS FOR COOLING PREPARATIONS FIRMENICH SA (CH) 2006-07-26 EP claimed
WO-2005042680-A1 FLAVOR INGREDIENTS FOR COOLING PREPARATIONS FIRMENICH SA (CH) 2005-05-12 WO claimed
WO-2014198366-A1 GLOVE WITH A COOLING EFFECT CARL FREUDENBERG KG (DE) 2014-12-18 WO disclosed
WO-2011056748-A2 ORAL COMPOSITIONS FOR TREATMENT OF DRY MOUTH THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed
WO-2009065239-A1 COMPOSITIONS AND THEIR USE GIVAUDAN SA (CH) 2009-05-28 WO disclosed
EP-1874132-A1 HOT FLAVOUR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2008-01-09 EP disclosed
US-20060249167-A1 Flavor ingredients for cooling preparations FIRMENICH SA (CH) 2006-11-09 US disclosed
WO-2006109241-A1 HOT FLAVOUR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2006-10-19 WO disclosed
EP-1682641-A1 FLAVOR INGREDIENTS FOR COOLING PREPARATIONS FIRMENICH SA (CH) 2006-07-26 EP disclosed
WO-2005042680-A1 FLAVOR INGREDIENTS FOR COOLING PREPARATIONS FIRMENICH SA (CH) 2005-05-12 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-20110015227-A1 WARMING SENSATE COMPOSITION TAS1R3, TAS2R30, TAS2R50 CYP1A2 1073/4885

“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.