SCHEMBL2906238

SCHEMBL2906238

CC1(C)CCCC(C(C)(C)O)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
LMNA P02545 1/20 0.31
PTGS1 P23219 2/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7546482 0.87 PTGS1 (0.30) TRPA1PTGS1ALDH1A1TDP1
SCHEMBL31482316 0.83 TRPA1 (0.32) TRPA1
SCHEMBL31482319 0.80
SCHEMBL2585491 0.80 PTGS1 (0.36) PTGS1
SCHEMBL19260512 0.79 PTGS1 (0.33) TRPA1PTGS1
SCHEMBL2590604 0.77 PTGS1 (0.35) PTGS1
SCHEMBL14759042 0.76 PTGS1 (0.34) PTGS1
SCHEMBL14446958 0.76 APLNR (0.36) TRPA1LMNA
SCHEMBL12159412 0.76
SCHEMBL16218396 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492759-B1 NOVEL ALICYCLIC ESTERS HAVING A MUSKY SMELL SYMRISE GMBH & CO KG (DE) 2010-08-04 EP disclosed
US-7064102-B2 Alicyclic esters having a musky smell SYMRISE GMBH & CO, KG (DE) 2006-06-20 US disclosed
US-20050182273-A1 Novel alicyclic esters having a musky smell SYMRISE AG (DE) 2005-08-18 US disclosed
EP-1492759-A2 NOVEL ALICYCLIC ESTERS HAVING A MUSKY SMELL Symrise GmbH & Co. KG (DE) 2005-01-05 EP disclosed
WO-2003082799-A2 ALICYCLIC ESTERS HAVING A MUSKY SMELL SYMRISE GMBH & CO. KG (DE) 2003-10-09 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-20050182273-A1 Novel alicyclic esters having a musky smell TAS2R16, TAS2R43, TAS2R45 TRPA1 37/4885LMNA 2716/4885PTGS1 4526/4885

“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.