SCHEMBL921629

SCHEMBL921629

NCc1ccc(Oc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
MAPK1 P28482 1/20 0.68
ST14 Q9Y5Y6 3/20 0.56
TAAR1 Q96RJ0 3/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAOB P27338 8/20 0.50
SLC6A4 P31645 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
MAOA P21397 4/20 0.48

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
Hydrochloric Acid SCHEMBL6158469 0.98 ALDH1A1 (0.66) ALDH1A1MAPK1ST14TAAR1NPC1
SCHEMBL922990 0.89 ALDH1A1 (0.58) ALDH1A1MAPK1ST14TAAR1NPC1
SCHEMBL6165864 0.84 ALDH1A1 (0.78) ALDH1A1MAPK1NPC1RAB9AMAOB
SCHEMBL9505708 0.83 ALDH1A1 (0.63) ALDH1A1MAPK1TAAR1NPC1RAB9A
SCHEMBL12238989 0.81 ROCK2 (0.54) ALDH1A1MAPK1TAAR1NPC1RAB9A
SCHEMBL7294658 0.81 ALDH1A1 (1.00) ALDH1A1MAPK1TAAR1NPC1RAB9A
SCHEMBL15458939 0.80 ALDH1A1 (0.68) ALDH1A1MAPK1NPC1RAB9AMAOB
SCHEMBL29463278 0.80 TAAR1 (0.71) ALDH1A1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL57649 0.80 TAAR1 (0.71) ALDH1A1TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL18415547 0.79 ALDH1A1 (0.71) ALDH1A1MAPK1NPC1RAB9AMAOB

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
CN-101967115-B Synthesis and herbicidal activity of 3-substituted phenoxybenzamine-2-cyanoacrylate ethoxyethyl compound UNIV NANKAI 2013-09-18 CN disclosed
CN-101967115-A Synthesis and herbicidal activity of 3-substituted phenoxybenzamine-2-cyanoacrylate ethoxyethyl compound UNIV NANKAI 2011-02-09 CN disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 ALDH1A1 2743/4885MAPK1 1392/4885ST14 708/4885

“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.