SCHEMBL2848296

SCHEMBL2848296

C=CCc1cccc(OCCC(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.49
GABRB2 P47870 1/20 0.49
HTT P42858 1/20 0.43
ADRB2 P07550 3/20 0.43
ADRB1 P08588 3/20 0.43
LMNA P02545 2/20 0.43
HTR1A P08908 1/20 0.43
ADRB3 P13945 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A2 P23975 1/20 0.43
BDKRB2 P30411 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
KDM4E B2RXH2 3/20 0.42

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
SCHEMBL28028545 0.85 KDM4E (0.54) HTTADRB2ADRB1LMNAHTR1A
SCHEMBL2848420 0.84 ADRA2C (0.43) HTTADRB2ADRB1LMNAHTR1A
SCHEMBL14695733 0.84 GABRA1 (0.53) GABRA1GABRB2HTTKDM4EALDH1A1
SCHEMBL3458335 0.82 GABRA1 (0.51) GABRA1GABRB2CYP1A2KDM4EALDH1A1
SCHEMBL2846372 0.82 KDM4E (0.42) HTTADRB2ADRB1LMNAHTR1A
SCHEMBL2847330 0.81 HTT (0.44) HTTADRB2ADRB1LMNAHTR1A
SCHEMBL2849190 0.81 ALDH1A1 (0.42) HTTADRB2ADRB1LMNAHTR1A
SCHEMBL2849222 0.81 ADRA2C (0.41) HTTADRB2ADRB1LMNAHTR1A
SCHEMBL10433454 0.80 KDM4E (0.56) GABRA1GABRB2HTTKDM4EALDH1A1
SCHEMBL2845720 0.80 MCHR1 (0.46) HTTADRB2ADRB1LMNAHTR1A

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 GABRA1 356/4885GABRB2 263/4885HTT 2933/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 GABRA1 618/4885GABRB2 473/4885HTT 2726/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 GABRA1 656/4885GABRB2 500/4885HTT 2713/4885

“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.