SCHEMBL2707782

SCHEMBL2707782

CCOC(=O)C=CCC1CC=C(C)C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
DPP4 P27487 1/20 0.40
MAPT P10636 5/20 0.39
HCAR2 Q8TDS4 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
AGTR1 P30556 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
SCHEMBL2707781 1.00 TTR (0.40) TTRDPP4MAPTHCAR2CA12
SCHEMBL4458952 0.82 ALDH1A1 (0.43) CYP3A4ALDH1A1NPSR1USP2
SCHEMBL4458950 0.82 ALDH1A1 (0.43) CYP3A4ALDH1A1NPSR1USP2
SCHEMBL2426403 0.82 USP2 (0.35) CYP3A4ALDH1A1NPSR1USP2
SCHEMBL2706115 0.82 NPSR1 (0.35) CYP3A4ALDH1A1LMNANPSR1USP2
SCHEMBL2706119 0.82 NPSR1 (0.35) CYP3A4ALDH1A1LMNANPSR1USP2
SCHEMBL2707257 0.82 NPSR1 (0.35) CYP3A4ALDH1A1LMNANPSR1USP2
SCHEMBL4201125 0.79 SLC6A19 (0.33) ALDH1A1NPSR1USP2
SCHEMBL12048723 0.79 SLC6A19 (0.33) ALDH1A1NPSR1USP2
SCHEMBL11233392 0.78 CYP2D6 (0.33) MAPTALDH1A1LMNANPSR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9451784-B2 Off-note blocking sensory organic compounds GIVAUDAN S.A. (CH) 2016-09-27 US disclosed
US-20140194651-A1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2014-07-10 US disclosed
US-8409649-B2 Off-note blocking sensory organic compounds GIVAUDAN S.A. (CH) 2013-04-02 US disclosed
EP-2139841-B1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2012-05-02 EP disclosed
US-20100284944-A1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-11-11 US disclosed
EP-2139841-A1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS Givaudan SA (CH) 2010-01-06 EP disclosed
WO-2008119197-A1 4-(2, 2, 3-TRIMETHYLCYCLOPENTYL) BUTANOIC ACID USED AS AN OFF-NOTE MASKING AGENT IN CONSUMABLES GIVAUDAN SA (CH) 2008-10-09 WO disclosed
WO-2008119196-A1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-10-09 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 (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-20100284944-A1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS SORD, OTC, ASPH TTR 2610/4885DPP4 751/4885MAPT 2636/4885
US-20140194651-A1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS SORD, OTC, ASPH TTR 2610/4885DPP4 751/4885MAPT 2636/4885

“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.