SCHEMBL16620674

SCHEMBL16620674

COc1ccc(Nc2ccc(OC)c(C)c2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
ALDH1A1 P00352 6/20 0.46
GAA P10253 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 2/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
THRB P10828 2/20 0.44
RECQL P46063 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 3/20 0.44
TSHR P16473 2/20 0.43

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
SCHEMBL29330640 0.92 L3MBTL1 (0.53) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL15497460 0.90 MAPT (0.63) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL16621247 0.90 MEN1 (0.51) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL13955886 0.86 NPC1 (0.58) MAPTGAAMEN1KMT2ALMNA
SCHEMBL9290196 0.84 MAPT (0.45) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL10995371 0.83 MAPT (0.50) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL13532211 0.83 ALDH1A1 (0.44) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL27612556 0.83 MAPT (0.44) MAPTALDH1A1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL3173764 0.81 ALDH1A1 (0.42) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL11086700 0.80 RAPGEF4 (0.56) MAPTGAALMNAMAPK1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9997714-B2 Hole transport material MERCK PATENT GMBH (DE) 2018-06-12 US disclosed
US-9997714-B2 Hole transport material MERCK PATENT GMBH (DE) 2018-06-12 US disclosed
US-9997714-B2 Hole transport material MERCK PATENT GMBH (DE) 2018-06-12 US disclosed
US-20160254449-A1 HOLE TRANSPORT MATERIAL MERCK PATENT GMBH (DE) 2016-09-01 US disclosed
US-20160254449-A1 HOLE TRANSPORT MATERIAL MERCK PATENT GMBH (DE) 2016-09-01 US disclosed
US-20160254449-A1 HOLE TRANSPORT MATERIAL MERCK PATENT GMBH (DE) 2016-09-01 US disclosed
EP-3052470-A1 HOLE TRANSPORT MATERIAL Merck Patent GmbH (DE) 2016-08-10 EP disclosed
WO-2015049031-A1 HOLE TRANSPORT MATERIAL MERCK PATENT GMBH (DE) 2015-04-09 WO disclosed
WO-2015049031-A1 HOLE TRANSPORT MATERIAL MERCK PATENT GMBH (DE) 2015-04-09 WO 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-20160254449-A1 HOLE TRANSPORT MATERIAL SUN2, SLC6A19, SLCO2A1 MAPT 1877/4885ALDH1A1 3172/4885GAA 4349/4885

“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.