SCHEMBL2845720

SCHEMBL2845720

C=CCc1c(OCCC(C)C)cccc1OCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.46
HTT P42858 1/20 0.45
IDO1 P14902 1/20 0.40
TLR8 Q9NR97 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
ADRB2 P07550 3/20 0.36
ADRB1 P08588 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
HTR1A P08908 1/20 0.36
ADRB3 P13945 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
BDKRB2 P30411 1/20 0.36

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
SCHEMBL2841044 0.94 MCHR1 (0.42) MCHR1HTTIDO1TLR8POLB
SCHEMBL2848364 0.94 MCHR1 (0.42) MCHR1HTTIDO1TLR8TDP1
SCHEMBL2842260 0.94 MCHR1 (0.42) MCHR1HTTIDO1TLR8TDP1
SCHEMBL2846376 0.94 MCHR1 (0.42) MCHR1HTTIDO1TLR8TDP1
SCHEMBL2841067 0.93 MCHR1 (0.41) MCHR1HTTIDO1TLR8TDP1
SCHEMBL2847330 0.91 HTT (0.44) MCHR1HTTIDO1TLR8TDP1
SCHEMBL28028545 0.82 KDM4E (0.54) HTTTDP1POLBADRB2ADRB1
SCHEMBL2848420 0.81 ADRA2C (0.43) MCHR1HTTTDP1POLBSMN1; SMN2
SCHEMBL677831 0.81 MCHR1 (0.49) MCHR1HTTIDO1TLR8TDP1
SCHEMBL2844425 0.81 MCHR1 (0.41) MCHR1HTTPOLBMAPTSMN1; SMN2

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 MCHR1 4009/4885HTT 3064/4885IDO1 1426/4885
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar L3MBTL3, L3MBTL4, L3MBTL1 MCHR1 1207/4885HTT 2933/4885IDO1 1914/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 MCHR1 1416/4885HTT 2726/4885IDO1 1489/4885
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X MCHR1 3944/4885HTT 3047/4885IDO1 1393/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 MCHR1 1381/4885HTT 2713/4885IDO1 1434/4885

“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.