SCHEMBL3459844

SCHEMBL3459844

C=CCc1cccc(OCC)c1OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
ADRB2 P07550 3/20 0.40
ADRB1 P08588 3/20 0.40
HTR1A P08908 1/20 0.40
ADRB3 P13945 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
SCHEMBL3461299 0.92 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL3459983 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL27981723 0.90 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL3460600 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL5549646 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL2849222 0.85 ADRA2C (0.41) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL3255815 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1TSHRGAA
SCHEMBL11592482 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL28519240 0.83 L3MBTL1 (0.46) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL5586090 0.83 GABRA1 (0.41) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2

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.