SCHEMBL803206

SCHEMBL803206

CC#Cc1ccc2c(c1)OCc1cc(OCc3ccccc3)ccc1-2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.58
MAOA P21397 11/20 0.58
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
GRM5 P41594 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
HRH3 Q9Y5N1 1/20 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
SCHEMBL802631 0.82 MAOB (0.64) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL803144 0.81 MAOB (0.66) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL10455152 0.79 GRM5 (0.37) GRM5ROCK2
SCHEMBL14985719 0.74 GRM5 (0.34) ALDH1A1GRM5ROCK2
SCHEMBL30777896 0.72 MAOB (0.62) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL30777900 0.71 MAOB (0.54) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL281588 0.71 MAOB (1.00) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL17954215 0.70 MAOB (0.48) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL30768919 0.68 MAOB (0.64) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL2686651 0.68 MAOB (0.63) MAOBMAOANPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096795-B2 Liquid crystal display MERCK PATENT GMBH (DE) 2015-08-04 US disclosed
US-20120069289-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-22 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-20120069289-A1 LIQUID CRYSTAL DISPLAY LPXN, VCL, ACP3 MAOB 2889/4885MAOA 2468/4885NPC1 4142/4885

“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.