SCHEMBL5013387

SCHEMBL5013387

Nc1ccc(Oc2ccc(N)c(Oc3ccccc3)c2)cc1Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.55
GAA P10253 3/20 0.53
RCE1 Q9Y256 1/20 0.53
NR4A1 P22736 1/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
MITF O75030 1/20 0.52
GFER P55789 1/20 0.52
NLRP1 Q9C000 1/20 0.52
NOD2 Q9HC29 1/20 0.52
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
F10 P00742 1/20 0.51
LTA4H P09960 3/20 0.50

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
SCHEMBL1961773 0.86 ALDH1A1 (0.63) MAOAGAARCE1ALDH1A1SMN1; SMN2
SCHEMBL5312459 0.86 ALDH1A1 (0.63) MAOAMAOBGAARCE1NR4A1
SCHEMBL10337232 0.85 MAOB (0.63) MAOAMAOBGAARCE1NR4A1
Hydrochloric Acid SCHEMBL10337161 0.83 MAOB (0.61) MAOAMAOBGAARCE1ALDH1A1
SCHEMBL7774904 0.83 MAOA (0.56) MAOAMAOBGAARCE1ALDH1A1
SCHEMBL31613229 0.83 MAOA (0.56) MAOAMAOBGAARCE1ALDH1A1
SCHEMBL30697305 0.83 ALDH1A1 (0.52) MAOAMAOBGAARCE1ALDH1A1
SCHEMBL5014782 0.83 ALDH1A1 (0.52) MAOAMAOBGAARCE1ALDH1A1
SCHEMBL4262228 0.83 GAA (0.62) MAOAMAOBGAARCE1ALDH1A1
SCHEMBL29412671 0.83 NR4A1 (0.77) MAOAMAOBGAANR4A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194794-A1 MATERIALS FOR THE MANUFACTURE OF PROTON CONDUCTING MEMBRANES, METHODS OF MAKING THE SAME, AND USES THEREOF THE UNIVERSITY OF CONNECTICUT 2008-08-14 US claimed
US-10023540-B2 Hydrogen barrier agent, hydrogen barrier film forming composition, hydrogen barrier film, method for producing hydrogen barrier film, and electronic element TOKYO OHKA KOGYO CO., LTD. (JP) 2018-07-17 US disclosed
US-9981914-B2 2018-05-29 US disclosed
US-20180086717-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT TOKYO OHKA KOGYO CO., LTD. (JP) 2018-03-29 US disclosed
US-20080194794-A1 MATERIALS FOR THE MANUFACTURE OF PROTON CONDUCTING MEMBRANES, METHODS OF MAKING THE SAME, AND USES THEREOF THE UNIVERSITY OF CONNECTICUT 2008-08-14 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 (2 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-20180086717-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT SLC9A2, SLC9A1, NHERF1 MAOA 556/4885MAOB 1663/4885GAA 4606/4885
US-10023540-B2 Hydrogen barrier agent, hydrogen barrier film forming composition, hydrogen barrier film, method for producing hydrogen barrier film, and electronic element SLC9A2, SLC9A1, NHERF1 MAOA 556/4885MAOB 1663/4885GAA 4606/4885

“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.