SCHEMBL2848423

SCHEMBL2848423

C=CCc1ccc(OCCC(C)C)cc1O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.43
CNR2 P34972 2/20 0.41
PDK2 Q15119 1/20 0.41
EPHX2 P34913 1/20 0.41
ADRB2 P07550 1/20 0.40
PTPN1 P18031 2/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
NR1H4 Q96RI1 2/20 0.38

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
SCHEMBL2847227 0.89 GABRA1 (0.49) TDP1MAPK1CNR2PDK2EPHX2
SCHEMBL2845084 0.84 TDP1 (0.45) TDP1MAPK1CNR2PDK2EPHX2
SCHEMBL2846414 0.84 GABRA1 (0.48) CNR2PTPN1GABRA1GABRB2
SCHEMBL2840063 0.84 CNR2 (0.53) CNR2GAA
SCHEMBL2841520 0.82 MAPT (0.43) TDP1MAPK1PDK2PTPN1MGAM
SCHEMBL2849234 0.81 L3MBTL1 (0.49) TDP1MAPK1CNR2
SCHEMBL2848505 0.81 TDP1 (0.45) TDP1MAPK1PDK2EPHX2PTPN1
SCHEMBL2841582 0.81 KDM4E (0.42) TDP1MAPK1CNR2PDK2EPHX2
SCHEMBL2844288 0.80 PTPN1 (0.50) CNR2PTPN1GAAGABRA1GABRB2
SCHEMBL2851179 0.80 TDP1 (0.41) TDP1MAPK1CNR2PDK2GABRA1

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 TDP1 3012/4885MAPK1 4323/4885CNR2 56/4885
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar L3MBTL3, L3MBTL4, L3MBTL1 TDP1 1624/4885MAPK1 4515/4885CNR2 332/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 TDP1 1252/4885MAPK1 4550/4885CNR2 401/4885
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X TDP1 3110/4885MAPK1 4482/4885CNR2 53/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 TDP1 1255/4885MAPK1 4541/4885CNR2 405/4885

“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.