SCHEMBL2859166

SCHEMBL2859166

CCC/C=C\CC/C=C/C=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.52
TSHR P16473 4/20 0.50
ALDH1A1 P00352 2/20 0.50
PPARA Q07869 1/20 0.38
FAAH O00519 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
GAPDH P04406 2/20 0.32
MAPK1 P28482 1/20 0.32
TOP1 P11387 2/20 0.31
DDAH1 O94760 1/20 0.31
MAPT P10636 1/20 0.31
FASN P49327 1/20 0.30

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
SCHEMBL28229710 1.00 TRPA1 (0.52) TRPA1TSHRALDH1A1PPARAFAAH
SCHEMBL2859164 1.00 TRPA1 (0.52) TRPA1TSHRALDH1A1PPARAFAAH
SCHEMBL2859168 1.00 TRPA1 (0.52) TRPA1TSHRALDH1A1PPARAFAAH
SCHEMBL28229711 1.00 TRPA1 (0.52) TRPA1TSHRALDH1A1PPARAFAAH
SCHEMBL18941519 1.00 TRPA1 (0.52) TRPA1TSHRALDH1A1PPARAFAAH
SCHEMBL7288353 0.94 TSHR (0.56) TRPA1TSHRALDH1A1PPARAFAAH
SCHEMBL8214277 0.94 TRPA1 (0.58) TRPA1TSHRALDH1A1PPARAFAAH
SCHEMBL112269 0.94
SCHEMBL1701371 0.94
SCHEMBL29822 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035972-B2 Fragrance and flavor compositions containing isomeric alkadienals or isomeric alkadienenitriles BEDOUKIAN RESEARCH, INC. (US) 2018-07-31 US disclosed
WO-2017100426-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES BEDOUKIAN RESEARCH, INC. (US) 2017-06-15 WO disclosed
US-20170166836-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES BEDOUKIAN RESEARCH, INC. (US) 2017-06-15 US disclosed
US-20170166836-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES BEDOUKIAN RESEARCH, INC. (US) 2017-06-15 US disclosed
EP-1221836-B1 NOVEL BISEXUAL ATTRACTANTS, AGGREGANTS AND ARRESTANTS FOR ADULTS AND LARVAE OF CODLING MOTH AND OTHER SPECIES OF LEPIDOPTERA TRECE INC (US) 2010-01-20 EP disclosed
EP-1221836-A4 NOVEL BISEXUAL ATTRACTANTS, AGGREGANTS AND ARRESTANTS FOR ADULTS AND LARVAE OF CODLING MOTH AND OTHER SPECIES OF i LEPIDOPTERA /i TRECE INC (US) 2004-04-21 EP disclosed
US-6528049-B2 Isolated from pears or apples; for monitoring and control of codling moth and other species of Lepidoptera TRECE, INC. 2003-03-04 US disclosed
EP-1221836-A1 NOVEL BISEXUAL ATTRACTANTS, AGGREGANTS AND ARRESTANTS FOR ADULTS AND LARVAE OF CODLING MOTH AND OTHER SPECIES OF i LEPIDOPTERA /i Trece Incorporated (US) 2002-07-17 EP disclosed
US-20020061324-A1 Novel bisexual attractants, aggregants and arrestants for adults and larvae of codling moth and other species of lepidoptera LIGHT DOUGLAS M (US) 2002-05-23 US disclosed
US-6264939-B1 CONTROLLING, MONITORING FLUIT AND NUT TREE INSECTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2001-07-24 US disclosed
WO-2001028327-A1 NOVEL BISEXUAL ATTRACTANTS, AGGREGANTS AND ARRESTANTS FOR ADULTS AND LARVAE OF CODLING MOTH AND OTHER SPECIES OF LEPIDOPTERA TRECE INCORPORATED (US) 2001-04-26 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 (3 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-20020061324-A1 Novel bisexual attractants, aggregants and arrestants for adults and larvae of codling moth and other species of lepidoptera ACHE, KISS1R, GNRHR TRPA1 305/4885TSHR 2985/4885ALDH1A1 2579/4885
US-20170166836-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES ALDH3A1, OR51E2, DHCR24 TRPA1 23/4885TSHR 3880/4885ALDH1A1 5/4885
US-10035972-B2 Fragrance and flavor compositions containing isomeric alkadienals or isomeric alkadienenitriles ALDH3A1, OR51E2, DHCR24 TRPA1 23/4885TSHR 3880/4885ALDH1A1 5/4885

“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.