SCHEMBL5162970

SCHEMBL5162970

COc1cc(N)cc(OC)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 3/20 0.48
KDM4E B2RXH2 3/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 8/20 0.43
EP300 Q09472 1/20 0.43
CYP3A4 P08684 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR4A1 P22736 1/20 0.42
NPC1 O15118 1/20 0.41
ADRA2B P18089 1/20 0.40
PTGS1 P23219 1/20 0.40
USP2 O75604 1/20 0.40
MEN1 O00255 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
SCHEMBL5161298 0.85 MAPT (0.43) MAPTNPSR1GAAKDM4ETSHR
Hydrochloric Acid SCHEMBL5428742 0.83 MAPT (0.46) MAPTNPSR1GAAKDM4ETSHR
SCHEMBL11519952 0.83 CYP3A4 (0.56) MAPTNPSR1GAAKDM4ETSHR
SCHEMBL10052531 0.82 MAPT (0.48) MAPTNPSR1GAAKDM4ETSHR
SCHEMBL9323197 0.82 ALDH1A1 (0.54) MAPTNPSR1GAAKDM4ETSHR
SCHEMBL5028318 0.80 ACHE (0.59) MAPTNPSR1GAATSHRMAPK1
SCHEMBL1122691 0.80 TUBB4A (0.55) MAPTNPSR1TSHRMAPK1ALDH1A1
SCHEMBL191996 0.80 ACHE (0.59) MAPTGAAKDM4ETSHRMAPK1
SCHEMBL148897 0.80 MAPT (0.47) MAPTNPSR1GAAKDM4ETSHR
SCHEMBL22884498 0.78 MAPT (0.45) MAPTNPSR1GAAKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115206689-B Graphene modified material and preparation method thereof 浙江理工大学 2024-02-09 CN claimed
CN-115206689-B Graphene modified material and preparation method thereof 浙江理工大学 2024-02-09 CN disclosed
CN-115206689-A Graphene modified material and preparation method thereof 浙江理工大学 2022-10-18 CN disclosed
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 US disclosed
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 US disclosed
EP-1757579-A1 Primary 2,6-disubstituted para-phenylenediamines and their uses for dyeing keratin fibres L'Oréal (FR) 2007-02-28 EP disclosed
EP-1757579-A1 Primary 2,6-disubstituted para-phenylenediamines and their uses for dyeing keratin fibres L'Oréal (FR) 2007-02-28 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-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers KRT18, DSP, CDC73 MAPT 916/4885NPSR1 3372/4885GAA 4328/4885

“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.