SCHEMBL2844288

SCHEMBL2844288

C=CCc1ccc(OCC)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.50
KDM4E B2RXH2 4/20 0.49
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
LTA4H P09960 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
NQO1 P15559 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2846414 0.87 GABRA1 (0.48) PTPN1GABRA1GABRB2LTA4HKMT2A
SCHEMBL2840063 0.87 CNR2 (0.53) LTA4HMAPTALDH1A1NPC1RAB9A
SCHEMBL9614914 0.87 GABRA1 (0.56) PTPN1KDM4EGABRA1GABRB2MAPT
SCHEMBL23617301 0.83 LTA4H (0.44) KDM4ELTA4HMAPTALDH1A1HSD17B10
SCHEMBL4438747 0.83 LTA4H (0.44) KDM4ELTA4HMAPTALDH1A1HSD17B10
SCHEMBL2843664 0.83 PTPN1 (0.54) PTPN1GABRA1GABRB2ALDH1A1NPC1
SCHEMBL10725515 0.81 NQO1 (0.43) PTPN1KDM4EGABRA1GABRB2MAPT
SCHEMBL2846105 0.81 KDM4E (0.50) PTPN1KDM4EGABRA1GABRB2MAPT
SCHEMBL22273415 0.81 KLKB1 (0.49) LTA4HMAPTALDH1A1HSD17B10NQO1
SCHEMBL4474958 0.80 LTA4H (0.52) KDM4ELTA4HMAPTALDH1A1HSD17B10

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 PTPN1 3617/4885KDM4E 320/4885GABRA1 2288/4885
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar L3MBTL3, L3MBTL4, L3MBTL1 PTPN1 4414/4885KDM4E 407/4885GABRA1 356/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 PTPN1 4414/4885KDM4E 332/4885GABRA1 618/4885
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X PTPN1 3597/4885KDM4E 316/4885GABRA1 2174/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 PTPN1 4389/4885KDM4E 331/4885GABRA1 656/4885

“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.