SCHEMBL1657359

SCHEMBL1657359

CCCCCC(C)(C)CC(C)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDPS P14324 8/20 0.34
GGPS1 O95749 5/20 0.34
SPHK1 Q9NYA1 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
SCHEMBL8896811 0.98 GGPS1 (0.38) FDPSGGPS1SPHK1
SCHEMBL1657979 0.93 TSHR (0.35) FDPSSPHK1
SCHEMBL1659023 0.83 TSHR (0.38)
SCHEMBL6150877 0.81 OPRM1 (0.33) FDPSGGPS1
SCHEMBL8898424 0.80 FDPS (0.33) FDPSGGPS1SPHK1
SCHEMBL28053843 0.80 FDPS (0.38) FDPSGGPS1SPHK1
SCHEMBL28214778 0.79 TSHR (0.38) FDPSGGPS1
SCHEMBL5964919 0.79 TSHR (0.38) FDPSGGPS1
SCHEMBL8898720 0.78 CES2 (0.38) FDPSGGPS1
SCHEMBL21654250 0.78 SPHK1 (0.41) FDPSGGPS1SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1535602-A1 Cosmetic compositions comprising fatty acids Beiersdorf AG (DE) 2005-06-01 EP claimed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-23 US disclosed
US-8377458-B2 Cooling sensation agent composition, sensory stimulation agent composition and use of the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-02-19 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TAKASAGO INTERNATIONAL CORPORATION 2011-04-07 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
US-7119123-B2 Antimicrobially active 4-methyl-4-aryl-2-pentanols, their preparation and use SYMRISE GMBH & CO. KG (DE) 2006-10-10 US disclosed
US-7119123-B2 Antimicrobially active 4-methyl-4-aryl-2-pentanols, their preparation and use SYMRISE GMBH & CO. KG (DE) 2006-10-10 US disclosed
US-7119123-B2 Antimicrobially active 4-methyl-4-aryl-2-pentanols, their preparation and use SYMRISE GMBH & CO. KG (DE) 2006-10-10 US disclosed
EP-1535602-A1 Cosmetic compositions comprising fatty acids Beiersdorf AG (DE) 2005-06-01 EP disclosed
EP-1535602-A1 Cosmetic compositions comprising fatty acids Beiersdorf AG (DE) 2005-06-01 EP disclosed
US-20040171698-A1 Antimicrobially active 4-methyl-4-aryl-2-pentanols, their preparation and use SYMRISE AG (DE) 2004-09-02 US disclosed
US-20040171698-A1 Antimicrobially active 4-methyl-4-aryl-2-pentanols, their preparation and use SYMRISE AG (DE) 2004-09-02 US disclosed
US-20040171698-A1 Antimicrobially active 4-methyl-4-aryl-2-pentanols, their preparation and use SYMRISE AG (DE) 2004-09-02 US disclosed
EP-1427689-A1 4-METHYL-4-ARYL-2-PENTANOLS WITH AN ANTIMICROBIAL ACTION, PRODUCTION AND USE THEREOF Symrise GmbH & Co. KG (DE) 2004-06-16 EP disclosed
WO-2003024907-A1 4-METHYL-4-ARYL-2-PENTANOLS WITH AN ANTIMICROBIAL ACTION, PRODUCTION AND USE THEREOF SYMRISE GMBH & CO. KG (DE) 2003-03-27 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 (4 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 FDPS 3227/4885GGPS1 647/4885SPHK1 1693/4885
US-20040171698-A1 Antimicrobially active 4-methyl-4-aryl-2-pentanols, their preparation and use SRD5A2, HSD3B1, HSD17B2 FDPS 1035/4885GGPS1 486/4885SPHK1 803/4885
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 FDPS 1286/4885GGPS1 883/4885SPHK1 1772/4885
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 FDPS 1286/4885GGPS1 883/4885SPHK1 1772/4885

“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.