SCHEMBL2846352

SCHEMBL2846352

C=CCc1ccc(OCC)cc1OCCCC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.50
CNR1 P21554 1/20 0.46
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
NQO1 P15559 1/20 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
SCHEMBL2849927 0.94 CNR2 (0.47) CNR2CNR1KDM4EL3MBTL1MAPK1
SCHEMBL2842242 0.94 GABRA1 (0.44) CNR2CNR1KDM4EL3MBTL1MAPK1
SCHEMBL2839058 0.94 CNR2 (0.52) CNR2CNR1KDM4EL3MBTL1MAPK1
SCHEMBL2842661 0.91 CNR2 (0.50) CNR2CNR1KDM4EL3MBTL1MAPK1
SCHEMBL2848554 0.91 CNR2 (0.50) CNR2CNR1KDM4EL3MBTL1MAPK1
SCHEMBL2846105 0.91 KDM4E (0.50) CNR2KDM4EL3MBTL1TSHRMAPT
SCHEMBL2844258 0.88 CNR2 (0.50) CNR2CNR1L3MBTL1TSHRMAPT
SCHEMBL2846450 0.88 KDM4E (0.46) CNR2CNR1KDM4EL3MBTL1MAPT
SCHEMBL2844668 0.88 GABRA1 (0.46) CNR2CNR1KDM4EL3MBTL1MAPT
SCHEMBL2839860 0.87 CNR2 (0.46) CNR2CNR1KDM4EMAPK1TSHR

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 CNR2 56/4885CNR1 371/4885KDM4E 320/4885
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar L3MBTL3, L3MBTL4, L3MBTL1 CNR2 332/4885CNR1 552/4885KDM4E 407/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 CNR2 401/4885CNR1 701/4885KDM4E 332/4885
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X CNR2 53/4885CNR1 332/4885KDM4E 316/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 CNR2 405/4885CNR1 686/4885KDM4E 331/4885

“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.