SCHEMBL22722255

SCHEMBL22722255

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6ccccc6sc6ccccc6n6c7ccccc7c(c4)c56)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.36
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TSPO P30536 1/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
LIMK1 P53667 1/20 0.32
PIM3 Q86V86 1/20 0.32
APP P05067 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PIK3CA P42336 1/20 0.31
PI4KA P42356 1/20 0.31
PI4KB Q9UBF8 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
SCHEMBL16852062 0.95 TSPO (0.36) GPR3HPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL16852060 0.95 TSPO (0.36) GPR3HPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL16851910 0.94 ALDH1A1 (0.35) GPR3HPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL16852067 0.94 ALDH1A1 (0.35) GPR3HPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL16852059 0.94 GPR3 (0.33) GPR3HPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL16852057 0.94 ALDH1A1 (0.35) GPR3HPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL16851890 0.90 GPR3 (0.34) GPR3HPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL16852065 0.90 GPR3 (0.34) GPR3HPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL22722331 0.90 TSPO (0.38) GPR3HPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL14685662 0.89 TSPO (0.40) GPR3HPGDALDH1A1MAPTTSPO

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 GPR3 4242/4885HPGD 4368/4885RAB9A 1341/4885

“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.