SCHEMBL18029443

SCHEMBL18029443

COCCOCCn1c2ccccc2c2cc(/C=C/c3ccnc4ccccc34)ccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.68
▸ PTGER4 P35408 4/20 0.53
▸ ALDH1A1 P00352 5/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ CYP1A2 P05177 2/20 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
SCHEMBL13387542 0.83 APP (0.63) APPPTGER4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13387540 0.83 APP (0.63) APPPTGER4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12479731 0.83 APP (0.62) APPPTGER4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12479735 0.83 APP (0.62) APPPTGER4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL15911958 0.82 MAPT (0.53) APPPTGER4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29740692 0.82 BCHE (0.53) APPPTGER4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29740693 0.82 BCHE (0.53) APPPTGER4ALDH1A1SMN1; SMN2KDM4E
Iodide SCHEMBL13387358 0.81 APP (1.00) APPPTGER4ALDH1A1SMN1; SMN2KDM4E
Iodide SCHEMBL13387357 0.81 APP (1.00) APPPTGER4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13551414 0.80 APP (0.98) APPPTGER4ALDH1A1SMN1; SMN2KDM4E

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-9795694-B2 Imaging beta-amyloid peptides aggregation HONG KONG BAPTIST UNIVERSITY (HK) 2017-10-24 — — US disclosed
US-20160243264-A1 Imaging Beta-Amyloid Peptides Aggregation HONG KONG BAPTIST UNIVERSITY (HK) 2016-08-25 — — 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-20160243264-A1 Imaging Beta-Amyloid Peptides Aggregation APP, IAPP, APBA1 APP 1/4885PTGER4 4526/4885ALDH1A1 3081/4885

“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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