SCHEMBL4313555

SCHEMBL4313555

CC(C)=CC(C)(C)CC(C)(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.39
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33

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
SCHEMBL797973 0.78 TSHR (0.47) ACLYTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL16542606 0.77 ACLY (0.40) ACLYTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL3872048 0.76
SCHEMBL2898782 0.76
SCHEMBL14080730 0.75 ACLY (0.39) ACLYTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL16542592 0.74 TSHR (0.38) ACLYTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL14448804 0.74 ACLY (0.41) ACLYTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL19835942 0.73 ACLY (0.38) ACLYTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL10063479 0.73 ACLY (0.38) ACLYTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL85014 0.73 TSHR (0.42) ACLYTSHRALDH1A1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2133102-B1 Odor reducers SYMRISE AG (DE) 2014-12-03 EP claimed
EP-2133102-A1 Odor reducers Symrise GmbH & Co. KG (DE) 2009-12-16 EP claimed
US-20090238787-A1 ODOUR-REDUCING SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2009-09-24 US claimed
EP-0305965-B1 PROCESS FOR PREPARING ESTERS OF UNSATURATED ALCOHOLS UNION CARBIDE CORPORATION (US) 1992-09-02 EP claimed
EP-2915580-B1 Preparations with improved physical properties SYMRISE AG (DE) 2020-04-29 EP disclosed
US-9675534-B2 Preparations with improved physical properties SYMRISE AG (DE) 2017-06-13 US disclosed
US-20150250693-A1 PREPARATIONS WITH IMPROVED PHYSICAL PROPERTIES SYMRISE AG (DE) 2015-09-10 US disclosed
EP-2915580-A1 Preparations with improved physical properties Symrise AG (DE) 2015-09-09 EP disclosed
EP-2133102-B1 Odor reducers SYMRISE AG (DE) 2014-12-03 EP disclosed
US-8852565-B2 Odour-reducing substances SYMRISE AG (DE) 2014-10-07 US disclosed
EP-2133102-A1 Odor reducers Symrise GmbH & Co. KG (DE) 2009-12-16 EP disclosed
EP-2133102-A1 Odor reducers Symrise GmbH & Co. KG (DE) 2009-12-16 EP disclosed
US-20090238787-A1 ODOUR-REDUCING SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2009-09-24 US disclosed
US-4131739-A NOBLE GROUP 8 METAL ON CARBON EASTMAN KODAK COMPANY (US) 1978-12-26 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-20150250693-A1 PREPARATIONS WITH IMPROVED PHYSICAL PROPERTIES ADH1A, ADH1C, LBR ACLY 1566/4885TSHR 1371/4885ALDH1A1 42/4885
US-20090238787-A1 ODOUR-REDUCING SUBSTANCES ADH1A, ADH1C, ALDH1A1 ACLY 1327/4885TSHR 759/4885ALDH1A1 3/4885

“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.