SCHEMBL2706976

SCHEMBL2706976

CC1=C(C/C=C/C(=O)O)C(C)(C)CCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
HAO1 Q9UJM8 1/20 0.46
RXRA P19793 8/20 0.44
RARB P10826 8/20 0.44
RARG P13631 8/20 0.44
RARA P10276 7/20 0.44
ALDH1A1 P00352 6/20 0.42
MAPT P10636 6/20 0.42
PTGS1 P23219 3/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 3/20 0.42
RORC P51449 2/20 0.42
CYP3A4 P08684 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
MAPK1 P28482 2/20 0.42
HTR2B P41595 2/20 0.42
BLM P54132 2/20 0.42
HIF1A Q16665 2/20 0.42
ALOX15 P16050 2/20 0.42
NR4A1 P22736 1/20 0.42

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
SCHEMBL2706978 1.00 CYP1A2 (0.56) CYP1A2HAO1RXRARARBRARG
SCHEMBL5696341 0.88 CYP1A2 (0.45) CYP1A2HAO1RXRARARBRARG
SCHEMBL11452886 0.85 HAO1 (0.44) CYP1A2HAO1RXRARARBRARG
SCHEMBL11452887 0.85 HAO1 (0.44) CYP1A2HAO1RXRARARBRARG
SCHEMBL6942717 0.84 CYP1A2 (0.42) CYP1A2HAO1RXRARARBRARG
SCHEMBL9016198 0.82 CYP1A2 (0.51) CYP1A2HAO1RXRARARBRARG
SCHEMBL9016196 0.82 CYP1A2 (0.51) CYP1A2HAO1RXRARARBRARG
SCHEMBL10088064 0.82 CYP1A2 (0.41) CYP1A2HAO1RXRARARBRARG
SCHEMBL11740452 0.81 ALOX15 (0.40) CYP1A2HAO1RXRARARBRARG
SCHEMBL5508599 0.78 ALDH1A1 (0.43) CYP1A2HAO1RXRARARBRARG

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 7 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-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 CYP1A2 3689/4885HAO1 2838/4885RXRA 3085/4885
US-20140194651-A1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS SORD, OTC, ASPH CYP1A2 3689/4885HAO1 2838/4885RXRA 3085/4885

“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.