SCHEMBL17487163

SCHEMBL17487163

COc1cccc2c1c(B1OC(C)(C)C(C)(C)O1)cc1ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ACHE P22303 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ AHR P35869 2/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ LPL P06858 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ PPARG P37231 2/20 0.36
▸ RXRA P19793 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ NQO1 P15559 1/20 0.36
▸ ANTXR2 P58335 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL17071924 0.80 KMT2A (0.40) MAOAEGFRABCG2ANTXR2ALDH1A1
SCHEMBL25622483 0.80 CYP1A2 (0.45) MAOAACHECYP1A2AHRERBB2
SCHEMBL26447348 0.80 EGFR (0.37) MAOAEGFRLPLLIPGPPARG
SCHEMBL21190463 0.78 LPL (0.46) EGFRCYP1A2LPLLIPGNQO1
SCHEMBL17069652 0.78 ANTXR2 (0.37) MAOAEGFRABCG2LPLLIPG
SCHEMBL734336 0.78 LPL (0.45) MAOAACHECYP1A2AHRERBB2
SCHEMBL21340650 0.76 ALDH1A1 (0.44) EGFRLPLLIPGNQO1SMN1; SMN2
SCHEMBL29774687 0.76 ALDH1A1 (0.44) EGFRLPLLIPGNQO1SMN1; SMN2
SCHEMBL2192910 0.76 NQO1 (0.46) EGFRACHECYP1A2LPLLIPG
SCHEMBL5784094 0.75 IDO1 (0.41) MAOAEGFRLPLLIPGALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9472766-B2 Fused polycyclic compound and organic light emitting element including the same CANON KABUSHIKI KAISHA (JP) 2016-10-18 — — US disclosed
US-9472766-B2 Fused polycyclic compound and organic light emitting element including the same CANON KABUSHIKI KAISHA (JP) 2016-10-18 — — US disclosed
US-20160035982-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2016-02-04 — — US disclosed
US-20160035982-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2016-02-04 — — 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-20160035982-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME NR2E3, PUF60, CRY2 MAOA 3023/4885EGFR 3016/4885ACHE 4462/4885

“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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