SCHEMBL16500697

SCHEMBL16500697

COc1ccc(N(c2ccc(-c3ccc(C)cc3)cc2)c2ccc(-c3ccc(Nc4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
MAPT P10636 5/20 0.57
NPC1 O15118 4/20 0.57
GAA P10253 3/20 0.57
KDM4E B2RXH2 1/20 0.57
THRB P10828 1/20 0.57
MAPK1 P28482 1/20 0.57
RECQL P46063 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GSK3B P49841 1/20 0.51
ACHE P22303 1/20 0.50
PTGS2 P35354 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NR4A1 P22736 1/20 0.49
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL10025015 1.00 RAB9A (0.57) RAB9AMAPTNPC1GAAKDM4E
SCHEMBL31140067 0.95 RAB9A (0.63) RAB9AMAPTNPC1GAAKDM4E
SCHEMBL16508422 0.93 MAPT (0.65) RAB9AMAPTNPC1GAAKDM4E
SCHEMBL10057745 0.93 MAPT (0.65) RAB9AMAPTNPC1GAAKDM4E
SCHEMBL23921596 0.89 ACHE (0.62) RAB9AMAPTNPC1KDM4EMAPK1
SCHEMBL12533864 0.89 ACHE (0.62) RAB9AMAPTNPC1KDM4EMAPK1
SCHEMBL19393236 0.89 ACHE (0.62) RAB9AMAPTNPC1KDM4EMAPK1
SCHEMBL2623449 0.89 ACHE (0.62) RAB9AMAPTNPC1KDM4EMAPK1
SCHEMBL134330 0.89 ACHE (0.62) RAB9AMAPTNPC1KDM4EMAPK1
SCHEMBL12374368 0.89 ACHE (0.62) RAB9AMAPTNPC1KDM4EMAPK1

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-20110297235-A1 USE OF TRIARYLAMINE DERIVATIVES AS HOLE-CONDUCTING MATERIALS IN ORGANIC SOLAR CELLS AND ORGANIC SOLAR CELLS CONTAINING SAID TRIARYLAMINE DERIVATIVES BASF SE (DE) 2011-12-08 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-20110297235-A1 USE OF TRIARYLAMINE DERIVATIVES AS HOLE-CONDUCTING MATERIALS IN ORGANIC SOLAR CELLS AND ORGANIC SOLAR CELLS CONTAINING SAID TRIARYLAMINE DERIVATIVES NR2E3, NR0B2, AHR RAB9A 3461/4885MAPT 3648/4885NPC1 887/4885

“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.