SCHEMBL12126759

SCHEMBL12126759

COc1ccc(-c2cc3c4ccc(-c5ccc6c(c5)c(-c5ccc(OC)cc5)cc5c7ccccc7c(-c7ccc(CO)cc7)cc65)cc4c(-c4ccc(CO)cc4)cc3c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACA Q13085 1/20 0.46
▸ ABL1 P00519 1/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ BCR P11274 1/20 0.44
▸ BACE1 P56817 1/20 0.43
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ LTA4H P09960 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.39
▸ NT5E P21589 1/20 0.39
▸ HPGD P15428 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
SCHEMBL12128798 0.89 ACACA (0.54) ACACAABL1ABCB1BCRBACE1
SCHEMBL17552364 0.81 ABL1 (0.53) ACACAABL1ABCB1BCRBACE1
SCHEMBL12126776 0.80 KDM4E (0.54) ACACAABL1ABCB1BCRBACE1
SCHEMBL15945801 0.80 NOD2 (0.43) ACACAABL1ABCB1BCRBACE1
SCHEMBL19910963 0.79 ABL1 (0.55) ACACAABL1ABCB1BCRRAB9A
SCHEMBL13232533 0.79 ABL1 (0.66) ABL1ABCB1BCRBACE1CYP11B1
SCHEMBL14498831 0.77 ABL1 (0.51) ACACAABL1ABCB1BCRBACE1
SCHEMBL13500255 0.77 BACE1 (0.43) ACACAABL1ABCB1BCRBACE1
SCHEMBL2604702 0.77 ABL1 (0.62) ABL1ABCB1BCRBACE1CYP11B1
SCHEMBL15382029 0.76 MAPT (0.45) RAB9ALTA4HNPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580400-B2 Bichrysene compound and organic light emitting device having the compound CANON KABUSHIKI KAISHA (JP) 2013-11-12 — — US disclosed
US-20110272683-A1 NOVEL BICHRYSENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2011-11-10 — — 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-20110272683-A1 NOVEL BICHRYSENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND PPOX, CRY1, OXER1 ACACA 2783/4885ABL1 4113/4885ABCB1 2438/4885

“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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