SCHEMBL12877798

SCHEMBL12877798

Brc1ccc2c(-c3ccc4ccccc4c3)c3cc4ccccc4cc3c(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.55
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ GSTP1 P09211 1/20 0.40
▸ ALOX5 P09917 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ IKBKB O14920 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL761316 0.98 CYP2A6 (0.57) CYP2A6CYP11B1CYP11B2ESR1ESR2
SCHEMBL1191770 0.96 CYP2A6 (0.55) CYP2A6CYP11B1CYP11B2ESR1ESR2
SCHEMBL30200392 0.96 CYP2A6 (0.55) CYP2A6CYP11B1CYP11B2ESR1ESR2
SCHEMBL28633756 0.92 CYP2A6 (0.50) CYP2A6CYP11B1CYP11B2ESR1ESR2
SCHEMBL13706399 0.91 CYP2A6 (0.57) CYP2A6CYP11B1CYP11B2ESR1ESR2
SCHEMBL12175907 0.91 CYP2A6 (0.57) CYP2A6CYP11B1CYP11B2ESR1ESR2
SCHEMBL16603673 0.90 CYP2A6 (0.48) CYP2A6CYP11B1CYP11B2ESR1ESR2
SCHEMBL9914822 0.90 CYP2A6 (0.57) CYP2A6CYP11B1CYP11B2ESR1ESR2
SCHEMBL10458839 0.90 CYP2A6 (0.52) CYP2A6CYP11B1CYP11B2ESR1ESR2
SCHEMBL12968943 0.89 CYP2A6 (0.47) CYP2A6CYP11B1CYP11B2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110042655-A1 AROMATIC ELECTROLUMINESCENT COMPOUNDS WITH HIGH EFFICIENCY AND ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2011-02-24 — — US disclosed
US-20110042655-A1 AROMATIC ELECTROLUMINESCENT COMPOUNDS WITH HIGH EFFICIENCY AND ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2011-02-24 — — US disclosed
WO-2009066808-A1 AROMATIC ELECTROLUMINESCENT COMPOUNDS WITH HIGH EFFICIENCY AND ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2009-05-28 — — WO 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-20110042655-A1 AROMATIC ELECTROLUMINESCENT COMPOUNDS WITH HIGH EFFICIENCY AND ELECTROLUMINESCENT DEVICE USING THE SAME EML4, ETV6, RABGGTA CYP2A6 1451/4885CYP11B1 2153/4885CYP11B2 1591/4885

“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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