SCHEMBL22722331

SCHEMBL22722331

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cccc6c7ccccc7sc7ccccc7n5c64)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 4/20 0.38
GPR3 P46089 1/20 0.34
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
LIMK1 P53667 1/20 0.33
PIM3 Q86V86 1/20 0.33
APP P05067 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIK3CA P42336 1/20 0.33
PI4KA P42356 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 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
SCHEMBL16850713 0.95 TSPO (0.39) TSPOGPR3LIMK1PIM3APP
SCHEMBL16850727 0.95 TSPO (0.39) TSPOGPR3LIMK1PIM3APP
SCHEMBL16850716 0.94 TSPO (0.38) TSPOGPR3HPGDRAB9ASMN1; SMN2
SCHEMBL16850728 0.94 TSPO (0.38) TSPOGPR3HPGDRAB9ASMN1; SMN2
SCHEMBL22722272 0.94 GPR3 (0.39) TSPOGPR3HPGDRAB9ASMN1; SMN2
SCHEMBL17612068 0.93 TSPO (0.38) TSPOGPR3LIMK1PIM3APP
SCHEMBL17612104 0.93 TSPO (0.38) TSPOGPR3HPGDRAB9ASMN1; SMN2
SCHEMBL16850712 0.93 TSPO (0.38) TSPOGPR3LIMK1PIM3APP
SCHEMBL20363874 0.91 TSPO (0.36) TSPOHPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL17612103 0.91 TSPO (0.35) TSPOGPR3HPGDRAB9ASMN1; SMN2

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-10854824-B2 Organic electroluminescent compound, organic electroluminescent material and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-12-01 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-10854824-B2 Organic electroluminescent compound, organic electroluminescent material and organic electroluminescent device comprising the same OR10J3, EPCAM, L1CAM TSPO 1307/4885GPR3 4242/4885HPGD 4368/4885

“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.