SCHEMBL2556525

SCHEMBL2556525

C=CCc1ccc(OC(=O)OC)c(OC)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.76
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
CYP3A4 P08684 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
ALDH1A1 P00352 5/20 0.69
PPARA Q07869 3/20 0.69
PPARG P37231 1/20 0.69
PPARD Q03181 1/20 0.69
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MAPT P10636 3/20 0.62
KDM4E B2RXH2 2/20 0.62
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.62
HTT P42858 1/20 0.62
PRSS1 P07477 1/20 0.59
ACR P10323 1/20 0.59

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
SCHEMBL28843675 0.89 PTGS1 (0.72) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL30464902 0.88 PTGS1 (0.76) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL6861607 0.88 PTGS1 (0.76) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL6863539 0.87 PTGS1 (0.71) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL16131104 0.87 PTGS1 (0.74) PTGS1MEN1KMT2ACYP3A4TDP1
Eugenyl Acetate SCHEMBL29802968 0.87 PTGS1 (1.00) PTGS1MEN1KMT2ACYP3A4TDP1
Eugenyl Acetate SCHEMBL112232 0.87 PTGS1 (1.00) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL28848683 0.87 PTGS1 (0.78) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL28672434 0.87 PTGS1 (0.78) PTGS1MEN1KMT2ACYP3A4TDP1
Eugenyl Acetate SCHEMBL14764089 0.87 PTGS1 (1.00) PTGS1MEN1KMT2ACYP3A4TDP1

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
US-8648033-B2 Organic carbonates with vanilla odor FIRMENICH SA (CH) 2014-02-11 US claimed
EP-2561051-B1 ORGANIC CARBONATES WITH VANILLA ODOR FIRMENICH & CIE (CH) 2013-12-18 EP claimed
EP-2561051-A1 ORGANIC CARBONATES WITH VANILLA ODOR Firmenich SA (CH) 2013-02-27 EP claimed
US-20130011352-A1 ORGANIC CARBONATES WITH VANILLA ODOR FIRMENICH SA (CH) 2013-01-10 US claimed
WO-2011132098-A1 ORGANIC CARBONATES WITH VANILLA ODOR FIRMENICH SA (CH) 2011-10-27 WO claimed
US-8648033-B2 Organic carbonates with vanilla odor FIRMENICH SA (CH) 2014-02-11 US disclosed
US-8648033-B2 Organic carbonates with vanilla odor FIRMENICH SA (CH) 2014-02-11 US disclosed
US-8648033-B2 Organic carbonates with vanilla odor FIRMENICH SA (CH) 2014-02-11 US disclosed
EP-2561051-B1 ORGANIC CARBONATES WITH VANILLA ODOR FIRMENICH & CIE (CH) 2013-12-18 EP disclosed
EP-2561051-A1 ORGANIC CARBONATES WITH VANILLA ODOR Firmenich SA (CH) 2013-02-27 EP disclosed
US-20130011352-A1 ORGANIC CARBONATES WITH VANILLA ODOR FIRMENICH SA (CH) 2013-01-10 US disclosed
US-20130011352-A1 ORGANIC CARBONATES WITH VANILLA ODOR FIRMENICH SA (CH) 2013-01-10 US disclosed
US-20130011352-A1 ORGANIC CARBONATES WITH VANILLA ODOR FIRMENICH SA (CH) 2013-01-10 US disclosed
WO-2011132098-A1 ORGANIC CARBONATES WITH VANILLA ODOR FIRMENICH SA (CH) 2011-10-27 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 (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-20130011352-A1 ORGANIC CARBONATES WITH VANILLA ODOR TRPV3, HVCN1, TRPV5 PTGS1 837/4885MEN1 2190/4885KMT2A 3417/4885

“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.