SCHEMBL2851179

SCHEMBL2851179

C=CCc1ccc(OCCC(C)C)cc1OCCC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
CNR2 P34972 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 2/20 0.38
CNR1 P21554 1/20 0.37
MAPT P10636 1/20 0.37
PDK2 Q15119 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
SCHEMBL2841499 1.00 TDP1 (0.41) TDP1GABRA1GABRB2CNR2L3MBTL1
SCHEMBL2847329 0.95 CNR2 (0.45) TDP1CNR2L3MBTL1LMNAMAPK1
SCHEMBL2844322 0.95 CNR2 (0.45) TDP1CNR2L3MBTL1LMNAMAPK1
SCHEMBL2845084 0.95 TDP1 (0.45) TDP1CNR2L3MBTL1LMNAMAPK1
SCHEMBL2841582 0.91 KDM4E (0.42) TDP1GABRA1GABRB2CNR2L3MBTL1
SCHEMBL2844531 0.91 L3MBTL1 (0.42) TDP1GABRA1GABRB2CNR2L3MBTL1
SCHEMBL2844668 0.90 GABRA1 (0.46) TDP1GABRA1GABRB2CNR2L3MBTL1
SCHEMBL2848505 0.88 TDP1 (0.45) TDP1L3MBTL1LMNAMAPK1MAPT
SCHEMBL2842661 0.88 CNR2 (0.50) TDP1GABRA1GABRB2CNR2L3MBTL1
SCHEMBL2848554 0.88 CNR2 (0.50) TDP1GABRA1GABRB2CNR2L3MBTL1

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 3012/4885GABRA1 2288/4885GABRB2 870/4885
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar L3MBTL3, L3MBTL4, L3MBTL1 TDP1 1624/4885GABRA1 356/4885GABRB2 263/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 TDP1 1252/4885GABRA1 618/4885GABRB2 473/4885
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X TDP1 3110/4885GABRA1 2174/4885GABRB2 800/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 TDP1 1255/4885GABRA1 656/4885GABRB2 500/4885

“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.