SCHEMBL23334676

SCHEMBL23334676

c1ccc(-c2ccc(-c3nc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc(-c4cc5ccccc5s4)n3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ NQO1 P15559 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL21476451 0.98 CYP19A1 (0.38) APPCYP19A1NQO1NQO2MEN1
SCHEMBL21476338 0.96 APP (0.36) APPCYP19A1NQO1NQO2MEN1
SCHEMBL21476313 0.94 HSD17B1 (0.37) APPCYP19A1NQO1NQO2MEN1
SCHEMBL21476314 0.94 HSD17B1 (0.40) APPCYP19A1NQO1NQO2MEN1
SCHEMBL21476285 0.93 CYP19A1 (0.38) APPCYP19A1NQO1NQO2MEN1
SCHEMBL21476283 0.92 MEN1 (0.39) APPCYP19A1NQO1NQO2MEN1
SCHEMBL23334726 0.92 MEN1 (0.39) APPCYP19A1NQO1NQO2MEN1
SCHEMBL21476291 0.92 MEN1 (0.39) APPCYP19A1NQO1NQO2MEN1
SCHEMBL21476305 0.91 HSD17B1 (0.40) APPCYP19A1NQO1NQO2MEN1
SCHEMBL23334992 0.91 APP (0.42) APPCYP19A1NQO1NQO2MEN1

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-20210130336-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2021-05-06 — — 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-20210130336-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, MLX, LEF1 APP 1692/4885CYP19A1 931/4885NQO1 1550/4885

“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.

Send feedback