SCHEMBL2841391

SCHEMBL2841391

C=CCc1c(OC)cccc1OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
POLB P06746 1/20 0.40
ACHE P22303 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX5 P09917 1/20 0.39
AR P10275 1/20 0.39
PTGS1 P23219 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 2/20 0.38

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
SCHEMBL2846412 0.93 ALDH1A1 (0.44) ALDH1A1KDM4EGAAMAPTTDP1
SCHEMBL2845228 0.89 ALDH1A1 (0.53) ALDH1A1KDM4EGAAHPGDPPARG
SCHEMBL2841256 0.87 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHPGDPPARG
SCHEMBL2842663 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EGAAHPGDPPARG
SCHEMBL2839907 0.86 ADRA2A (0.43) ALDH1A1KDM4EHPGDPOLBCYP3A4
SCHEMBL2844485 0.85 CYP1A2 (0.44) ALDH1A1KDM4EGAAHPGDPPARG
SCHEMBL2842248 0.85 L3MBTL1 (0.41) ALDH1A1KDM4EGAAMAPTTDP1
SCHEMBL2844528 0.83 CYP1A2 (0.45) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL8699251 0.83 HCRTR1 (0.41) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL460585 0.81 GABRA1 (0.43) ALDH1A1KDM4EGAACYP3A4ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131185-A1 Methods and Compositions for Control of Cabbage Looper, Trichoplusia ni THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-23 US claimed
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 2318/4885KDM4E 320/4885GAA 4795/4885
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar L3MBTL3, L3MBTL4, L3MBTL1 ALDH1A1 4074/4885KDM4E 407/4885GAA 4495/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 ALDH1A1 4132/4885KDM4E 332/4885GAA 4405/4885
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X ALDH1A1 2444/4885KDM4E 316/4885GAA 4780/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 ALDH1A1 4180/4885KDM4E 331/4885GAA 4425/4885

“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.