SCHEMBL1991957

SCHEMBL1991957

CC(C)=CCC/C(C)=C/COC(CO)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
TRPV1 Q8NER1 3/20 0.49
ALOX15 P16050 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
PGR P06401 1/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPT P10636 1/20 0.40
PTGS1 P23219 1/20 0.40
PDE4A P27815 1/20 0.40
MAPK1 P28482 1/20 0.40
DRD3 P35462 1/20 0.40
SNCA P37840 1/20 0.40
PDE3A Q14432 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL17291676 0.83 FNTA (0.52) FNTAFNTBTRPV1ALOX15ALDH1A1
SCHEMBL17291673 0.83 FNTA (0.52) FNTAFNTBTRPV1ALOX15ALDH1A1
SCHEMBL17291677 0.83 FNTA (0.52) FNTAFNTBTRPV1ALOX15ALDH1A1
SCHEMBL17291674 0.83 FNTA (0.52) FNTAFNTBTRPV1ALOX15ALDH1A1
SCHEMBL9366348 0.78 CYP19A1 (0.45) FNTAFNTBTRPV1ALOX15ALDH1A1
SCHEMBL9366353 0.78 CYP19A1 (0.45) FNTAFNTBTRPV1ALOX15ALDH1A1
SCHEMBL3275029 0.77 TRPV1 (0.58) FNTAFNTBTRPV1ALOX15ALDH1A1
SCHEMBL31344415 0.77 TRPV1 (0.58) FNTAFNTBTRPV1ALOX15ALDH1A1
SCHEMBL3164962 0.75 TRPV1 (0.55) FNTAFNTBTRPV1ALOX15ALDH1A1
SCHEMBL3164976 0.75 TRPV1 (0.55) FNTAFNTBTRPV1ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150803-A1 EQUILIBRATED DYNAMIC MIXTURES CONTAINING STABILIZED HEMIACETALS FOR THE CONTROLLED RELEASE OF ACTIVE ALCOHOLS FIRMENICH SA (CH) 2011-06-23 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 (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-20110150803-A1 EQUILIBRATED DYNAMIC MIXTURES CONTAINING STABILIZED HEMIACETALS FOR THE CONTROLLED RELEASE OF ACTIVE ALCOHOLS ADH5, ADH1C, ADH1A FNTA 1111/4885FNTB 1097/4885TRPV1 264/4885

“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.