SCHEMBL30129684

SCHEMBL30129684

[2H]C([2H])([2H])c1ccc(-c2cc(C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn2)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.41
DYRK1A Q13627 2/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.34
MAP4K4 O95819 2/20 0.34
USP7 Q93009 1/20 0.34
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FAAH O00519 1/20 0.32
AXL P30530 1/20 0.32
CDK8 P49336 1/20 0.32
TNIK Q9UKE5 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL23294052 1.00 LDHA (0.41) LDHADYRK1ANPC1RAB9AMAP4K4
SCHEMBL31681872 0.86 DYRK1A (0.38) LDHADYRK1ANPC1RAB9AMAP4K4
SCHEMBL19713112 0.85 LDHA (0.53) LDHANPC1RAB9APDGFRBKDR
SCHEMBL19434142 0.84 LDHA (0.43) LDHADYRK1ANPC1RAB9APDGFRB
SCHEMBL30480543 0.84 LDHA (0.47) LDHADYRK1ANPC1RAB9APDGFRB
SCHEMBL19454850 0.83 LDHA (0.47) LDHADYRK1ANPC1RAB9AMAP4K4
SCHEMBL19713117 0.82 CYP3A4 (0.39) LDHADYRK1ANPC1MAP4K4USP7
SCHEMBL30751968 0.82 CYP3A4 (0.39) LDHADYRK1ANPC1MAP4K4USP7
SCHEMBL24066448 0.82 LDHA (0.46) LDHADYRK1ANPC1RAB9AMAP4K4
SCHEMBL23608098 0.81 LDHA (0.34) LDHADYRK1ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220407020-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-12-22 US disclosed
CN-115466616-A Composition, layer including the composition, light emitting device including the composition, and electronic device including the light emitting device 三星电子株式会社 2022-12-13 CN 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-20220407020-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OPRM1, OCIAD2 LDHA 180/4885DYRK1A 2575/4885NPC1 2954/4885

“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.