SCHEMBL22433720

SCHEMBL22433720

OC(O)c1cc(C(F)(F)F)ccc1Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ GAA P10253 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ GFER P55789 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ RXFP1 Q9HBX9 3/20 0.47
▸ IDH2 P48735 2/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MPO P05164 4/20 0.44
▸ AKR1C3 P42330 3/20 0.42
▸ AKR1C2 P52895 3/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ AKR1C4 P17516 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ LMNA P02545 2/20 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
SCHEMBL23713159 0.81 MAPT (0.44) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL11544911 0.75 MPO (0.68) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL20829512 0.75 MAPT (0.60) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL20385231 0.74 MAPT (0.50) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL13238800 0.72 MAPT (0.61) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL28978590 0.72 MPO (0.67) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL21562592 0.72 ALDH1A1 (0.58) MAPTALDH1A1GAARXFP1IDH2
SCHEMBL13811262 0.70 MAPK1 (0.75) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL22571349 0.70 MAPT (0.43) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL7299108 0.70 MAPT (0.57) MAPTALDH1A1GAAMEN1KMT2A

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-20200291291-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-17 — — 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-20200291291-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES TST, MT-ND5, MT-ND4L MAPT 1499/4885ALDH1A1 1208/4885GAA 3319/4885

“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.

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