SCHEMBL16500855

SCHEMBL16500855

C=C/C(=C\C=C\c1ccc(-c2ccccc2)cc1)Nc1ccc(/C=C/C=C(\C=C)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LTB4R Q15722 1/20 0.38
▸ GAA P10253 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PTPN1 P18031 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HDAC2 Q92769 2/20 0.35
▸ CA1 P00915 2/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34

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
SCHEMBL16500863 0.85 HDAC2 (0.39) MAPTLTB4RGAAALDH1A1MAPK1
SCHEMBL16500929 0.78 MAOB (0.43) MAPTTDP1GAAALDH1A1MAPK1
SCHEMBL16500856 0.75 HDAC2 (0.34) MAPTLTB4RGAAALDH1A1MAPK1
SCHEMBL16500966 0.74 RAB9A (0.38) MAPTTDP1GAAALDH1A1MAPK1
SCHEMBL24679668 0.73 PTPN1 (0.42) MAPTALDH1A1MEN1KMT2APTPN1
SCHEMBL25034351 0.73 PTPN1 (0.42) MAPTGAAALDH1A1MAPK1MEN1
SCHEMBL16500830 0.71 ALDH1A1 (0.40) MAPTALDH1A1MEN1KMT2APTPN1
SCHEMBL16657822 0.70 APP (0.36) MAPTALDH1A1LMNAKDM4EHTT
SCHEMBL19546741 0.70 PTPN1 (0.47) MAPTALDH1A1MEN1KMT2APTPN1
SCHEMBL24680108 0.69 MAPK13 (0.36) MAPTTDP1GAAALDH1A1MAPK1

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-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 MAPT 222/4885TDP1 1891/4885LTB4R 3535/4885

“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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