SCHEMBL22079914

SCHEMBL22079914

COc1ccc(-c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.53
▸ ABCB1 P08183 3/20 0.53
▸ BCR P11274 3/20 0.53
▸ BACE1 P56817 3/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MITF O75030 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ACACA Q13085 1/20 0.43
▸ PTGS2 P35354 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL13222551 0.91 ABL1 (0.54) ABL1ABCB1BCRBACE1NPC1
SCHEMBL22079683 0.91 ABL1 (0.58) ABL1ABCB1BCRBACE1NPC1
SCHEMBL22079661 0.87 ALDH1A1 (0.42) ABL1ABCB1BCRBACE1NPC1
SCHEMBL22078976 0.87 ALDH1A1 (0.42) ABL1ABCB1BCRBACE1NPC1
SCHEMBL22079691 0.87 ALDH1A1 (0.42) ABL1ABCB1BCRBACE1NPC1
SCHEMBL22078975 0.87 ALDH1A1 (0.42) ABL1ABCB1BCRBACE1NPC1
SCHEMBL30481490 0.87 ALDH1A1 (0.42) ABL1ABCB1BCRBACE1NPC1
SCHEMBL22078978 0.86 L3MBTL1 (0.41) BACE1NPC1RAB9AKDM4EALDH1A1
SCHEMBL22079030 0.86 ALDH1A1 (0.41) ABL1ABCB1BCRBACE1NPC1
SCHEMBL21250652 0.86 L3MBTL1 (0.41) BACE1NPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200185612-A1 COMPOUND, LIGHT-EMITTING ELEMENT CONTAINING THE SAME, DISPLAY DEVICE, AND LIGHTING DEVICE TORAY INDUSTRIES, INC. (JP) 2020-06-11 — — 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-20200185612-A1 COMPOUND, LIGHT-EMITTING ELEMENT CONTAINING THE SAME, DISPLAY DEVICE, AND LIGHTING DEVICE NR2E3, PER2, CRY2 ABL1 1647/4885ABCB1 4533/4885BCR 2005/4885

“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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