SCHEMBL23083149

SCHEMBL23083149

c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccc6c(c5)c5cccnc5n6-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)c5)c5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc(-c3cccc(-n4c5ccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)cc5c5cccnc54)c3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PDE4B Q07343 3/20 0.32
▸ GRM5 P41594 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ PDE4A P27815 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ FEN1 P39748 1/20 0.30
▸ AKT1 P31749 1/20 0.30
▸ CYP19A1 P11511 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
SCHEMBL17349683 0.96 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19PDE4BGRM5
SCHEMBL18958183 0.96 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19PDE4BGRM5
SCHEMBL18958199 0.95 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19PDE4BGRM5
SCHEMBL18958165 0.95 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19PDE4BGRM5
SCHEMBL18958191 0.93 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19PDE4BKDM4E
SCHEMBL18958179 0.93 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19PDE4BKDM4E
SCHEMBL23773987 0.92 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19PDE4BGRM5
SCHEMBL17349413 0.91 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19PDE4BGRM5
SCHEMBL18958087 0.91 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19PDE4BGRM5
SCHEMBL17349407 0.90 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C19PDE4BGRM5

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-20210074926-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof DUK SAN NEOLUX CO LTD (KR) 2021-03-11 — — 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-20210074926-A1 Compound For Organic Electronic Element, Organic Electronic Element Using Same, And Electronic Device Thereof OR10J3, OR51E2, ETV6 ALDH1A1 956/4885TSHR 4810/4885CYP2C19 591/4885

“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.

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