SCHEMBL2841571

SCHEMBL2841571

C=CCOc1cccc(OCCCC)c1CC=C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CNR2 P34972 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
MCHR1 Q99705 1/20 0.39
CNR1 P21554 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
LIG1 P18858 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 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
SCHEMBL2839258 0.94 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19CNR2MCHR1
SCHEMBL2844525 0.92 HPGD (0.43) CYP1A2HPGDTSHRMAPK1HSD17B10
SCHEMBL2849926 0.90 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19CNR2MCHR1
SCHEMBL2844528 0.89 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19CNR2HPGD
SCHEMBL2844485 0.88 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19CNR2HPGD
SCHEMBL27592055 0.87 HPGD (0.47) CYP1A2HPGDTSHRMAPK1HSD17B10
SCHEMBL2839907 0.85 ADRA2A (0.43) CYP1A2HPGDTSHRMAPK1HSD17B10
1-Allyloxy-2-Butoxybenzene SCHEMBL2847372 0.85 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19HPGDTSHR
SCHEMBL2844425 0.85 MCHR1 (0.41) CYP1A2CYP2C9CYP2C19CNR2TSHR
SCHEMBL10158237 0.84 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19CNR2HPGD

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.