SCHEMBL2845228

SCHEMBL2845228

C=CCc1c(OC)cccc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 2/20 0.46
CYP3A4 P08684 2/20 0.46
ACHE P22303 2/20 0.46
ALOX5 P09917 1/20 0.46
AR P10275 1/20 0.46
PTGS1 P23219 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
CA12 O43570 1/20 0.44

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
SCHEMBL2842663 0.89 ALDH1A1 (0.46) ALDH1A1KDM4EGAAPPARGPPARD
SCHEMBL2841391 0.89 ALDH1A1 (0.46) ALDH1A1KDM4EGAAPPARGPPARD
SCHEMBL18984961 0.88 ALDH1A1 (0.48) ALDH1A1KDM4EGAAPPARGPPARD
SCHEMBL12327826 0.88 ALDH1A1 (0.51) ALDH1A1KDM4EGAAPPARGPPARD
SCHEMBL28338628 0.88 ALDH1A1 (0.48) ALDH1A1KDM4EGAAPPARGPPARD
SCHEMBL16511038 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EGAAPPARGPPARD
SCHEMBL2479613 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EGAAPPARGPPARD
SCHEMBL12494161 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EGAAPPARGPPARD
SCHEMBL14188842 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EGAAPPARGPPARD
SCHEMBL2841256 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EGAAPPARGPPARD

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 15 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-9497963-B2 Methods and compositions for control of gypsy moth, Lymantria dispar SIMON FRASER UNIVERSITY (CA) 2016-11-22 US disclosed
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-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar SIMON FRASER UNIVERSITY (CA) 2013-02-21 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-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-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
US-4801616-A ANTIARTHRYTIC ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
EP-0242989-A2 Diphenylmethane compounds ELI LILLY AND COMPANY (US) 1987-10-28 EP 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 ALDH1A1 2318/4885KDM4E 320/4885GAA 4795/4885
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar L3MBTL3, L3MBTL4, L3MBTL1 ALDH1A1 4074/4885KDM4E 407/4885GAA 4495/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 ALDH1A1 4132/4885KDM4E 332/4885GAA 4405/4885
US-20100160451-A1 METHODS AND COMPOSITIONS FOR CONTROL OF CABBAGE LOOPER, Trichoplusia ni CDV3, ETV1, TMSB4X ALDH1A1 2444/4885KDM4E 316/4885GAA 4780/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 ALDH1A1 4180/4885KDM4E 331/4885GAA 4425/4885

“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.