SCHEMBL2844528

SCHEMBL2844528

C=CCc1c(OCC)cccc1OCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
CNR2 P34972 2/20 0.43
L3MBTL1 Q9Y468 7/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MCHR1 Q99705 1/20 0.40
CNR1 P21554 1/20 0.40
TSHR P16473 1/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL2839258 0.95 CYP1A2 (0.49) CYP1A2CYP2C19CYP2C9CNR2L3MBTL1
SCHEMBL2842248 0.92 L3MBTL1 (0.41) CYP1A2CYP2C19L3MBTL1TDP1CYP2D6
SCHEMBL2849926 0.92 CYP1A2 (0.46) CYP1A2CYP2C19CYP2C9CNR2L3MBTL1
SCHEMBL2846412 0.90 ALDH1A1 (0.44) L3MBTL1TDP1MAPTNPSR1TSHR
SCHEMBL2841571 0.89 CYP1A2 (0.44) CYP1A2CYP2C19CYP2C9CNR2CYP2D6
SCHEMBL2844485 0.89 CYP1A2 (0.44) CYP1A2CYP2C19CYP2C9CNR2TDP1
SCHEMBL2844425 0.86 MCHR1 (0.41) CYP1A2CYP2C19CYP2C9CNR2MAPT
SCHEMBL2841067 0.85 MCHR1 (0.41) CYP1A2CYP2C19CYP2C9CNR2L3MBTL1
SCHEMBL2849947 0.84 CNR2 (0.46) CYP1A2CYP2C19CYP2C9CNR2MAPT
SCHEMBL2839907 0.83 ADRA2A (0.43) CYP1A2L3MBTL1CYP2D6TSHRALDH1A1

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 CYP1A2 2346/4885CYP2C19 4271/4885CYP2C9 3808/4885
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar L3MBTL3, L3MBTL4, L3MBTL1 CYP1A2 2344/4885CYP2C19 3989/4885CYP2C9 3051/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 CYP1A2 2220/4885CYP2C19 3786/4885CYP2C9 2754/4885
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X CYP1A2 2093/4885CYP2C19 4132/4885CYP2C9 3604/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 CYP1A2 2251/4885CYP2C19 3809/4885CYP2C9 2789/4885

“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.