SCHEMBL13642846

SCHEMBL13642846

N#Cc1ccccc1-c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc2c1cc(-c1ccc3c4ccccc4c4ccccc4c3c1)c1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.40
▸ PTGES O14684 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ TBXAS1 P24557 1/20 0.40
▸ CYP1A2 P05177 7/20 0.39
▸ CYP3A4 P08684 7/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ HSD17B10 Q99714 5/20 0.39
▸ CLK4 Q9HAZ1 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ NR3C1 P04150 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ USP2 O75604 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ CYP2D6 P10635 2/20 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
SCHEMBL13644452 1.00 TRPA1 (0.40) TRPA1PTGESJAK2TBXAS1CYP1A2
SCHEMBL13642986 0.92 TRPA1 (0.42) TRPA1PTGESJAK2TBXAS1CYP1A2
SCHEMBL13083877 0.89 PIM1 (0.49) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL13644495 0.89 PIM1 (0.49) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL13084035 0.86 GABRG2 (0.46) TRPA1CYP1A2CYP3A4ALDH1A1HPGD
SCHEMBL13644449 0.86 GABRG2 (0.46) TRPA1CYP1A2CYP3A4ALDH1A1HPGD
SCHEMBL13642865 0.85 GABRG2 (0.48) CYP1A2CYP3A4ALDH1A1HPGDMAPK1
SCHEMBL13644443 0.85 GABRG2 (0.48) CYP1A2CYP3A4ALDH1A1HPGDMAPK1
SCHEMBL13083960 0.84 ABCG2 (0.40) MAPK1PIM1LMNAGABRG2GABRB3
SCHEMBL13083915 0.84 ABCG2 (0.40) MAPK1PIM1LMNAGABRG2GABRB3

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-8796917-B2 Compound for an organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode CHEIL INDUSTRIES, INC (KR) 2014-08-05 — — US disclosed
US-8796917-B2 Compound for an organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode CHEIL INDUSTRIES, INC (KR) 2014-08-05 — — US disclosed
US-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-11-08 — — US disclosed
US-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-11-08 — — 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-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR51E2, AOX1, OR10J3 TRPA1 22/4885PTGES 1460/4885JAK2 2891/4885

“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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