SCHEMBL15077804

SCHEMBL15077804

Cc1cc(C)c2nc3c4ccc5c(=O)n6c7cc(C(F)(F)F)cc(C(F)(F)F)c7nc6c6c(C#N)cc(c(=O)n3c2c1)c4c56

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.32
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
XBP1 P17861 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL15077813 0.96 AR (0.32) ARMAPTNPC1ALDH1A1HPGD
SCHEMBL15079179 0.92 AHR (0.32) AR
SCHEMBL15077797 0.89 ALDH1A1 (0.35) MAPTNPC1ALDH1A1HPGDRAB9A
SCHEMBL15077834 0.89 ALDH1A1 (0.35) MAPTNPC1ALDH1A1HPGDRAB9A
SCHEMBL15077839 0.88 ALDH1A1 (0.34) MAPTNPC1ALDH1A1HPGDRAB9A
SCHEMBL15077811 0.88 ALDH1A1 (0.34) MAPTNPC1ALDH1A1HPGDRAB9A
SCHEMBL13260861 0.88 AHR (0.31)
SCHEMBL13286453 0.86 AR (0.31) ARMAPTMEN1KMT2A
SCHEMBL13260891 0.80 AHR (0.36) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL13260775 0.80 AHR (0.36) MAPTNPC1RAB9AMEN1KMT2A

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-20130161591-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2013-06-27 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-20130161591-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT L1CAM, ETV6, ELAVL1 AR 3736/4885MAPT 1786/4885NPC1 2865/4885

“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.