SCHEMBL2844664

SCHEMBL2844664

C=CCc1cccc(OCCC(C)C)c1OCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
CNR2 P34972 2/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRA2C P18825 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
CNR1 P21554 1/20 0.39
MCHR1 Q99705 1/20 0.38
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
CYP1A2 P05177 2/20 0.38
LMNA P02545 1/20 0.38
HTR1A P08908 1/20 0.38
ADRB3 P13945 1/20 0.38
SLC6A2 P23975 1/20 0.38
BDKRB2 P30411 1/20 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
SCHEMBL3461154 0.94 ALDH1A1 (0.40) PTGESALOX5PPARGKDM4EALDH1A1
SCHEMBL2848420 0.93 ADRA2C (0.43) KDM4EALDH1A1SMN1; SMN2ADRA2CADRA2A
SCHEMBL3461924 0.91 CNR2 (0.48) PTGESALOX5PPARGCNR2KDM4E
SCHEMBL2849222 0.90 ADRA2C (0.41) KDM4EALDH1A1SMN1; SMN2ADRA2CADRA2A
SCHEMBL3460898 0.88 CNR2 (0.46) PTGESALOX5PPARGCNR2KDM4E
SCHEMBL2849190 0.87 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2ADRA2CADRA2A
SCHEMBL2846372 0.85 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2ADRA2CADRA2A
SCHEMBL3460600 0.85 ALDH1A1 (0.44) PTGESALOX5PPARGCNR2KDM4E
SCHEMBL2841067 0.84 MCHR1 (0.41) CNR2KDM4EALDH1A1CNR1MCHR1
SCHEMBL3459654 0.84 KDM4E (0.46) PTGESALOX5PPARGCNR2KDM4E

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 PTGES 2146/4885ALOX5 204/4885PPARG 4433/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 PTGES 2141/4885ALOX5 239/4885PPARG 4431/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 PTGES 2113/4885ALOX5 250/4885PPARG 4457/4885

“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.