SCHEMBL2844485

SCHEMBL2844485

C=CCc1c(OC)cccc1OCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CNR2 P34972 2/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.40
PPARA Q07869 2/20 0.39
MCHR1 Q99705 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39

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 0.94 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL2841256 0.92 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL2849926 0.90 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL2844528 0.89 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL2841571 0.88 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL2841391 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL2844425 0.85 MCHR1 (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL2845228 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL2841067 0.84 MCHR1 (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL2849947 0.83 CNR2 (0.46) CYP1A2CYP2C9CYP2C19GAACNR2

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

“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.