SCHEMBL2846385

SCHEMBL2846385

C=CCOc1cc(CC=C)ccc1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.77
PPARA Q07869 3/20 0.77
PPARG P37231 1/20 0.77
PPARD Q03181 1/20 0.77
PTGS1 P23219 2/20 0.66
ALOX5 P09917 2/20 0.66
CYP3A4 P08684 2/20 0.66
AR P10275 1/20 0.66
TRPM8 Q7Z2W7 1/20 0.66
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
GABRA1 P14867 2/20 0.55
GABRB2 P47870 2/20 0.55
CNR2 P34972 1/20 0.52

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
Allyleugenol SCHEMBL29401211 0.93 ALDH1A1 (0.77) ALDH1A1PPARAPPARGPPARDPTGS1
Allyleugenol SCHEMBL2779960 0.93 ALDH1A1 (0.77) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL18244599 0.90 ALDH1A1 (0.63) ALDH1A1PPARAPPARGPPARDPTGS1
Methyleugenol SCHEMBL1869396 0.88 ALDH1A1 (1.00) ALDH1A1PPARAPPARGPPARDPTGS1
Methyleugenol SCHEMBL113794 0.88 ALDH1A1 (1.00) ALDH1A1PPARAPPARGPPARDPTGS1
Methyleugenol SCHEMBL29376951 0.88 ALDH1A1 (1.00) ALDH1A1PPARAPPARGPPARDPTGS1
Methyleugenol SCHEMBL5564539 0.86 ALDH1A1 (0.96) ALDH1A1PPARAPPARGPPARDPTGS1
Methyleugenol SCHEMBL27951383 0.86 ALDH1A1 (0.96) ALDH1A1PPARAPPARGPPARDPTGS1
Methyleugenol SCHEMBL27600712 0.86 ALDH1A1 (0.96) ALDH1A1PPARAPPARGPPARDPTGS1
SCHEMBL22922687 0.85 ALDH1A1 (0.65) ALDH1A1PPARAPPARGPPARDPTGS1

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-9497963-B2 Methods and compositions for control of gypsy moth, Lymantria dispar SIMON FRASER UNIVERSITY (CA) 2016-11-22 US disclosed
US-9125406-B2 Methods and compositions for control of cabbage looper, trichoplusia ni SIMON FRASER UNIVERSITY (CA) 2015-09-08 US disclosed
US-20130131185-A1 Methods and Compositions for Control of Cabbage Looper, Trichoplusia ni THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-23 US disclosed
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar SIMON FRASER UNIVERSITY (CA) 2013-02-21 US disclosed
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR SIMON FRASER UNIVERSITY (CA) 2010-11-25 US disclosed
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar SIMON FRASER UNIVERSITY (CA) 2010-07-29 US disclosed
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni SIMON FRASER UNIVERSITY (CA) 2010-06-24 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 (5 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-20130131185-A1 Methods and Compositions for Control of Cabbage Looper, Trichoplusia ni CDV3, ETV1, BOLA2; BOLA2B ALDH1A1 2318/4885PPARA 2699/4885PPARG 3571/4885
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar L3MBTL3, L3MBTL4, L3MBTL1 ALDH1A1 4074/4885PPARA 3865/4885PPARG 4433/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 ALDH1A1 4132/4885PPARA 3859/4885PPARG 4431/4885
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X ALDH1A1 2444/4885PPARA 2751/4885PPARG 3507/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 ALDH1A1 4180/4885PPARA 3912/4885PPARG 4457/4885

“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.