SCHEMBL3460600

SCHEMBL3460600

C=CCc1cccc(OCC)c1OCCCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CNR2 P34972 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.40
CNR1 P21554 1/20 0.40
LMNA P02545 1/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL3461924 0.94 CNR2 (0.48) ALDH1A1KDM4ETSHRSMN1; SMN2CNR2
SCHEMBL3460898 0.91 CNR2 (0.46) ALDH1A1KDM4ETSHRSMN1; SMN2CNR2
SCHEMBL3459844 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDL3MBTL1TP53
SCHEMBL3459654 0.87 KDM4E (0.46) ALDH1A1KDM4EHPGDL3MBTL1TP53
SCHEMBL3459983 0.87 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDL3MBTL1TP53
SCHEMBL2844664 0.85 PTGES (0.42) ALDH1A1KDM4EL3MBTL1TSHRSMN1; SMN2
SCHEMBL3461299 0.85 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDL3MBTL1TP53
SCHEMBL5549646 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDL3MBTL1TP53
SCHEMBL2844528 0.80 CYP1A2 (0.45) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL27981723 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 ALDH1A1 4132/4885KDM4E 332/4885HPGD 2915/4885

“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.