SCHEMBL2841949

SCHEMBL2841949

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
PPARA Q07869 3/20 0.67
PPARG P37231 1/20 0.67
PPARD Q03181 1/20 0.67
MAPT P10636 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 3/20 0.57
LMNA P02545 2/20 0.57
GAA P10253 2/20 0.57
HTT P42858 1/20 0.57
PTGS1 P23219 2/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX5 P09917 1/20 0.54
AR P10275 1/20 0.54
TRPM8 Q7Z2W7 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 3/20 0.52
L3MBTL1 Q9Y468 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
Isopentyleugenol SCHEMBL3166969 0.94 ALDH1A1 (0.67) ALDH1A1PPARAPPARGPPARDMAPT
SCHEMBL28366034 0.85 ALDH1A1 (0.47) ALDH1A1PPARAPPARGPPARDMAPT
SCHEMBL10536910 0.82 ALDH1A1 (0.80) ALDH1A1PPARAPPARGPPARDMAPT
SCHEMBL24942777 0.81 ALDH1A1 (0.60) ALDH1A1PPARAPPARGPPARDMAPT
Methyleugenol SCHEMBL1869396 0.81 ALDH1A1 (1.00) ALDH1A1PPARAPPARGPPARDMAPT
Methyleugenol SCHEMBL113794 0.81 ALDH1A1 (1.00) ALDH1A1PPARAPPARGPPARDMAPT
Methyleugenol SCHEMBL29376951 0.81 ALDH1A1 (1.00) ALDH1A1PPARAPPARGPPARDMAPT
SCHEMBL9722038 0.80 ALDH1A1 (0.77) ALDH1A1PPARAPPARGPPARDMAPT
SCHEMBL2846385 0.80 ALDH1A1 (0.77) ALDH1A1PPARAPPARGPPARDMAPT
SCHEMBL9722069 0.80 ALDH1A1 (0.77) ALDH1A1PPARAPPARGPPARDMAPT

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.