SCHEMBL2846372

SCHEMBL2846372

C=CCc1cccc(OCCC(C)C)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRA2C P18825 5/20 0.41
ADRA2A P08913 4/20 0.41
ADRA2B P18089 4/20 0.41
MCHR1 Q99705 1/20 0.40
ADRB2 P07550 3/20 0.40
ADRB1 P08588 3/20 0.40
HTR1A P08908 3/20 0.40
LMNA P02545 2/20 0.40
KCNH2 Q12809 2/20 0.40
ADRB3 P13945 1/20 0.40
SLC6A2 P23975 1/20 0.40
BDKRB2 P30411 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL2848420 0.92 ADRA2C (0.43) KDM4EALDH1A1SMN1; SMN2ADRA2CADRA2A
SCHEMBL2849222 0.88 ADRA2C (0.41) KDM4EALDH1A1SMN1; SMN2ADRA2CADRA2A
SCHEMBL2849190 0.88 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2ADRA2CADRA2A
SCHEMBL3461154 0.86 ALDH1A1 (0.40) KDM4EALDH1A1SMN1; SMN2ADRA2CADRA2A
SCHEMBL2844664 0.85 PTGES (0.42) KDM4EALDH1A1SMN1; SMN2ADRA2CADRA2A
SCHEMBL3459443 0.84 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL28028545 0.84 KDM4E (0.54) KDM4EALDH1A1ADRA2CADRA2AADRA2B
SCHEMBL2848296 0.82 GABRA1 (0.49) KDM4EALDH1A1ADRA2CMCHR1ADRB2
SCHEMBL30681592 0.80 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL3460333 0.80 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2D6

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 KDM4E 407/4885ALDH1A1 4074/4885SMN1; SMN2 3731/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 KDM4E 332/4885ALDH1A1 4132/4885SMN1; SMN2 3962/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 KDM4E 331/4885ALDH1A1 4180/4885SMN1; SMN2 3957/4885

“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.