SCHEMBL10329393

SCHEMBL10329393

COc1cc(C2OCC2(C)C)ccc1OCCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.39
▸ EPAS1 Q99814 1/20 0.39
▸ ACHE P22303 1/20 0.37
▸ MAPK3 P27361 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ FDPS P14324 1/20 0.36
▸ HTR1A P08908 4/20 0.36
▸ ADRA1D P25100 3/20 0.36
▸ ADRA1A P35348 3/20 0.36
▸ ADRA1B P35368 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ MPO P05164 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PTAFR P25105 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
SCHEMBL14590570 0.90 FDPS (0.44) HIF1AEPAS1ACHEMAPK3MAPK1
SCHEMBL14193805 0.86 FDPS (0.41) HIF1AEPAS1ACHEMAPK3MAPK1
SCHEMBL14590599 0.84 PDE4A (0.41) HIF1AEPAS1ACHEMAPK3MAPK1
SCHEMBL14590591 0.81 PDE4A (0.39) HIF1AEPAS1ACHEMAPK3MAPK1
SCHEMBL14590522 0.80 ALDH1A1 (0.43) ACHEMAPK3MAPK1ALDH1A1PDE4A
SCHEMBL10329389 0.79 MAPT (0.37) HIF1AHTR1AADRA1DADRA1AALDH1A1
SCHEMBL14590592 0.78 ALDH1A1 (0.41) ALDH1A1PDE4A
SCHEMBL13651835 0.78 SMN1; SMN2 (0.35) HTR1AALDH1A1RAB9A
SCHEMBL13651782 0.77 ALDH1A1 (0.37) ACHEMAPK3MAPK1ALDH1A1PTAFR
SCHEMBL14590511 0.74 ALDH1A1 (0.37) ACHEMAPK3MAPK1ALDH1A1RAB9A

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 HIF1A 1168/4885EPAS1 3735/4885ACHE 1965/4885

“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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