SCHEMBL21398835

SCHEMBL21398835

c1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cccc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c34)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.35
APP P05067 1/20 0.33
CYP1A2 P05177 1/20 0.33
PTPN7 P35236 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN12 Q05209 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIM3 Q86V86 1/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGIR P43119 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
SCHEMBL19656441 1.00 GPR3 (0.35) GPR3APPCYP1A2PTPN7DUSP3
SCHEMBL24883008 0.97 GPR3 (0.35) GPR3APPCYP1A2PTPN7DUSP3
SCHEMBL21398639 0.96 ALDH1A1 (0.35) GPR3APPCYP1A2PTPN7DUSP3
SCHEMBL24883205 0.96 APP (0.35) GPR3APPCYP1A2ALDH1A1MAPT
SCHEMBL21966381 0.95 ALDH1A1 (0.35) GPR3APPALDH1A1MAPTHPGD
SCHEMBL24741770 0.95 GPR3 (0.33) GPR3APPCYP1A2PTPN7DUSP3
SCHEMBL21966635 0.95 ALDH1A1 (0.35) GPR3APPALDH1A1MAPTHPGD
SCHEMBL19656454 0.95 ALDH1A1 (0.35) GPR3APPALDH1A1MAPTHPGD
SCHEMBL21966375 0.95 ALDH1A1 (0.35) GPR3APPALDH1A1MAPTHPGD
SCHEMBL21398871 0.95 GPR3 (0.33) GPR3APPDUSP3MAPT

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-20190296244-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR DUK SAN NEOLUX CO., LTD. (KR) 2019-09-26 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-20190296244-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR OR51E2, WEE2, WEE1 GPR3 4719/4885APP 1338/4885CYP1A2 1614/4885

“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.