SCHEMBL22044982

SCHEMBL22044982

CC#Cc1cc(C)cc(-c2cccc(-c3cccc(-c4cn(C)c(C)n4)c3)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.35
ALDH1A3 P47895 1/20 0.33
PDE10A Q9Y233 7/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM5 P41594 1/20 0.32
MAPK14 Q16539 1/20 0.32
SMO Q99835 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL22045330 0.95 ALDH1A3 (0.36) TLR8ALDH1A3PDE10ANPC1RAB9A
SCHEMBL22045331 0.92 ALDH1A3 (0.36) TLR8ALDH1A3PDE10AGRM5MAPK14
SCHEMBL24378460 0.79 TLR8 (0.50) TLR8NPC1RAB9AALDH1A1TP53
SCHEMBL22044983 0.73 GRM5 (0.34) ALDH1A3NPC1RAB9AALDH1A1TP53
SCHEMBL8830111 0.69 KDM4E (0.49) TLR8ALDH1A3PDE10ANPC1RAB9A
SCHEMBL6718823 0.67 TLR8 (0.53) TLR8ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL29628933 0.66 ACHE (0.53) NPC1RAB9AMEN1ALDH1A1TP53
SCHEMBL22434984 0.65 NPC1 (0.53) TLR8ALDH1A3NPC1RAB9AMEN1
SCHEMBL4546865 0.65 MEN1 (0.51) RAB9AMEN1ALDH1A1TP53HPGD
SCHEMBL24740968 0.64 TLR8 (0.48) TLR8NPC1RAB9AALDH1A1TP53

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-10672998-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-06-02 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-10672998-B2 Organic electroluminescent materials and devices LBR, HDAC3, SIRT3 TLR8 2253/4885ALDH1A3 1799/4885PDE10A 3532/4885

“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.