SCHEMBL2845272

SCHEMBL2845272

C=CCc1ccc(OC)cc1OCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC2A1 P11166 1/20 0.45
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
CNR2 P34972 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
APLNR P35414 1/20 0.41
CNR1 P21554 2/20 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
SCHEMBL2844258 0.94 CNR2 (0.50) MAPTLMNAL3MBTL1ALDH1A1TP53
SCHEMBL2844668 0.91 GABRA1 (0.46) MAPTLMNAL3MBTL1GABRA1GABRB2
SCHEMBL2842661 0.88 CNR2 (0.50) MAPTL3MBTL1ALDH1A1TSHRGABRA1
SCHEMBL2848554 0.88 CNR2 (0.50) MAPTL3MBTL1ALDH1A1TSHRGABRA1
SCHEMBL2842242 0.88 GABRA1 (0.44) MAPTLMNAL3MBTL1GABRA1GABRB2
SCHEMBL14957926 0.88 MAPT (0.62) MAPTLMNAL3MBTL1ALDH1A1TP53
SCHEMBL2844393 0.88 TUBB4A (0.47) MAPTALDH1A1TP53CYP3A4ALOX15
SCHEMBL2848332 0.88 TSHR (0.47) MAPTLMNAL3MBTL1ALDH1A1TP53
SCHEMBL2846450 0.85 KDM4E (0.46) MAPTLMNAL3MBTL1ALDH1A1GABRA1
SCHEMBL2842624 0.84 FLT3 (0.51) MAPTLMNAL3MBTL1ALDH1A1TP53

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131185-A1 Methods and Compositions for Control of Cabbage Looper, Trichoplusia ni THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-23 US claimed
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 MAPT 4798/4885LMNA 3715/4885L3MBTL1 47/4885
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar L3MBTL3, L3MBTL4, L3MBTL1 MAPT 4810/4885LMNA 864/4885L3MBTL1 3/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 MAPT 4813/4885LMNA 815/4885L3MBTL1 3/4885
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X MAPT 4792/4885LMNA 3828/4885L3MBTL1 51/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 MAPT 4820/4885LMNA 814/4885L3MBTL1 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.