SCHEMBL12265667

SCHEMBL12265667

Cn1c(-n2c3ccc(-c4ccc(C(C)(C)C)cc4)cc3c3cc(-c4ccc(C(C)(C)C)cc4)ccc32)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.47
▸ ADORA2A P29274 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 3/20 0.40
▸ TP53 P04637 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39

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
SCHEMBL12265662 0.91 HSD11B1 (0.41) HSD11B1ADORA2AALDH1A1NPSR1MAPT
SCHEMBL12270939 0.89 KDM4E (0.47) ALDH1A1MAPTMAPK1RAB9ATP53
SCHEMBL14463445 0.86 KMT2A (0.47) HSD11B1ALDH1A1MAPTRAB9ATP53
SCHEMBL1636412 0.86 KDM4E (0.44) ALDH1A1MAPTMAPK1RAB9ATP53
SCHEMBL1637110 0.85 KDM4E (0.43) ALDH1A1MAPTMAPK1RAB9ATP53
SCHEMBL14463447 0.83 ALDH1A1 (0.47) ALDH1A1MAPTRAB9ATP53KDM4E
SCHEMBL20151086 0.82 KDM4E (0.46) HSD11B1ADORA2AALDH1A1NPSR1MAPT
SCHEMBL1635420 0.82 MAPK1 (0.41) ALDH1A1MAPTMAPK1RAB9ATP53
SCHEMBL1636250 0.82 KDM4E (0.43) ALDH1A1MAPTMAPK1RAB9ATP53
SCHEMBL12270940 0.82 TP53 (0.47) ALDH1A1MAPTMAPK1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8974923-B2 Organic compound and organic light-emitting device having the same CANON KABUSHIKI KAISHA (JP) 2015-03-10 — — US disclosed
US-8974923-B2 Organic compound and organic light-emitting device having the same CANON KABUSHIKI KAISHA (JP) 2015-03-10 — — US disclosed
US-20130001537-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-01-03 — — US disclosed
US-20130001537-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-01-03 — — US disclosed
WO-2011122381-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-10-06 — — 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-20130001537-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME ORC3, CRY1, TRPA1 HSD11B1 2668/4885ADORA2A 3358/4885ALDH1A1 273/4885

“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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