SCHEMBL16500856

SCHEMBL16500856

C=C/C=C\C=C\c1ccc(/C(C=C)=C/C=C/Nc2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 4/20 0.34
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ APP P05067 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ LTB4R Q15722 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL16500966 0.85 RAB9A (0.38) NPC1GAARAB9AMAPK1CA1
SCHEMBL16500863 0.80 HDAC2 (0.39) HDAC2HDAC1HDAC6NPC1GAA
SCHEMBL16500767 0.78 KMT2A (0.33) HDAC2HDAC1HDAC6NPC1GAA
SCHEMBL16500939 0.75 APP (0.43) HDAC2HDAC1HDAC6NPC1GAA
SCHEMBL22902175 0.75 LTB4R (0.45) HDAC2HDAC1HDAC6NPC1GAA
SCHEMBL16500855 0.75 MAPT (0.38) HDAC2HDAC1HDAC6NPC1GAA
SCHEMBL29294623 0.72 ALDH1A1 (0.43) HDAC2HDAC1HDAC6GAAMAPK1
SCHEMBL24080769 0.72 RAB9A (0.41) NPC1GAARAB9AMAPK1CA1
SCHEMBL16500897 0.71 MAPK13 (0.40) NPC1GAARAB9AMAPK1KDM4E
SCHEMBL10110633 0.71 MAPK13 (0.40) NPC1GAARAB9AMAPK1KDM4E

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-20110297924-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-12-08 — — US disclosed
US-20110297924-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-12-08 — — 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-20110297924-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT SLC18A2, SLC18A1, SLC7A5 HDAC2 1475/4885HDAC1 2240/4885HDAC6 3911/4885

“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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