SCHEMBL10329383

SCHEMBL10329383

C=COCCOc1ccc(C2OCC2(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.33
▸ MAPT P10636 3/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ GAA P10253 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ GLA P06280 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAOA P21397 2/20 0.31
▸ MAOB P27338 2/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ TSHR P16473 1/20 0.30

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
SCHEMBL13651823 0.89 MAPT (0.39) ALDH1A1MAPTNPC1LMNAMAOA
SCHEMBL4809265 0.86 MAPT (0.35) ALDH1A1MAPTNPC1KDM4ELMNA
SCHEMBL10329390 0.85 ALDH1A1 (0.35) ALDH1A1MAPTNPC1MEN1GAA
SCHEMBL13651821 0.84 ALDH1A1 (0.36) ALDH1A1MAPTNPC1KDM4ELMNA
SCHEMBL14193812 0.82 LMNA (0.39) ALDH1A1MAPTNPC1KDM4EMEN1
SCHEMBL14193810 0.82 NPC1 (0.37) ALDH1A1MAPTNPC1LMNAMAOA
SCHEMBL4806456 0.81 NPC1 (0.48) ALDH1A1MAPTNPC1LMNAMAOA
SCHEMBL13651779 0.81 ALDH1A1 (0.49) ALDH1A1MAPTNPC1MEN1GAA
SCHEMBL4807583 0.81 EPHX2 (0.39) ALDH1A1MAPTNPC1KDM4ELMNA
SCHEMBL10329387 0.80 NPC1 (0.31) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222436-B2 Oxetane compound, active energy ray-curable composition, active energy ray-curable ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-07-17 — — US disclosed
US-8222436-B2 Oxetane compound, active energy ray-curable composition, active energy ray-curable ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-07-17 — — US disclosed
US-20110052831-A1 NOVEL OXETANE COMPOUND, ACTIVE ENERGY RAY-CURABLE COMPOSITION, ACTIVE ENERGY RAY-CURABLE INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — US disclosed
US-20110052831-A1 NOVEL OXETANE COMPOUND, ACTIVE ENERGY RAY-CURABLE COMPOSITION, ACTIVE ENERGY RAY-CURABLE INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — 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-20110052831-A1 NOVEL OXETANE COMPOUND, ACTIVE ENERGY RAY-CURABLE COMPOSITION, ACTIVE ENERGY RAY-CURABLE INK COMPOSITION AND INKJET RECORDING METHOD OXER1, NOX1, NOX4 ALDH1A1 276/4885MAPT 421/4885NPC1 4566/4885

“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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