SCHEMBL21036069

SCHEMBL21036069

c1ccc(-c2ccc3c(c2)c2ccccc2c2c4ccc(-c5ccc6sc7ccccc7c6c5)cc4c4ccccc4c32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.47
PIM3 Q86V86 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LIMK1 P53667 2/20 0.41
CYP1A2 P05177 1/20 0.40
F9 P00740 3/20 0.39
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN12 Q05209 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
ROCK1 Q13464 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL21036066 1.00 GPR3 (0.47) GPR3PIM3MAPTALDH1A1HPGD
SCHEMBL25081664 0.97 GPR3 (0.50) GPR3PIM3MAPTALDH1A1HPGD
SCHEMBL21036065 0.97 GPR3 (0.50) GPR3PIM3MAPTALDH1A1HPGD
SCHEMBL25081728 0.95 GPR3 (0.45) GPR3PIM3MAPTALDH1A1HPGD
SCHEMBL21035261 0.95 GPR3 (0.52) GPR3PIM3MAPTALDH1A1HPGD
SCHEMBL21035259 0.95 GPR3 (0.52) GPR3PIM3MAPTALDH1A1HPGD
SCHEMBL21035232 0.94 PIM3 (0.43) GPR3PIM3MAPTALDH1A1HPGD
SCHEMBL25081665 0.93 GPR3 (0.47) GPR3PIM3MAPTALDH1A1HPGD
SCHEMBL21035268 0.93 ALDH1A1 (0.47) GPR3PIM3MAPTALDH1A1HPGD
SCHEMBL21036064 0.93 ALDH1A1 (0.47) GPR3PIM3MAPTALDH1A1HPGD

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-20190165279-A1 ORGANIC ELECTROLUMINESCENT ELEMENT JNC CORPORATION (JP) 2019-05-30 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-20190165279-A1 ORGANIC ELECTROLUMINESCENT ELEMENT TCF4, LGR4, OR51E2 GPR3 1218/4885PIM3 4272/4885MAPT 2709/4885

“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.