SCHEMBL2844327

SCHEMBL2844327

C=CCc1cc(OCCC(C)C)ccc1OCCCC

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.54
CNR1 P21554 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.43
SLC2A1 P11166 1/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
PPARG P37231 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2849234 0.95 L3MBTL1 (0.49) CNR2CNR1L3MBTL1LMNAMAPK1
SCHEMBL2838981 0.91 L3MBTL1 (0.49) CNR2CNR1L3MBTL1LMNAMAPK1
SCHEMBL2844322 0.90 CNR2 (0.45) CNR2CNR1L3MBTL1LMNAMAPK1
SCHEMBL2847329 0.90 CNR2 (0.45) CNR2CNR1L3MBTL1LMNAMAPK1
SCHEMBL11032751 0.89 CNR2 (0.61) CNR2CNR1L3MBTL1LMNAMAPK1
SCHEMBL2841495 0.86 LMNA (0.47) CNR2L3MBTL1LMNAMAPTSLC2A1
SCHEMBL2851179 0.84 TDP1 (0.41) CNR2CNR1L3MBTL1LMNAMAPK1
SCHEMBL2841499 0.84 TDP1 (0.41) CNR2CNR1L3MBTL1LMNAMAPK1
SCHEMBL8415057 0.84 KDM4E (0.62) CNR2CNR1L3MBTL1LMNAKDM4E
SCHEMBL2845084 0.83 TDP1 (0.45) CNR2L3MBTL1LMNAMAPK1MAPT

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 4 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar L3MBTL3, L3MBTL4, L3MBTL1 CNR2 332/4885CNR1 552/4885L3MBTL1 3/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 CNR2 401/4885CNR1 701/4885L3MBTL1 3/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 CNR2 405/4885CNR1 686/4885L3MBTL1 3/4885

“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.