SCHEMBL10329399

SCHEMBL10329399

COc1cc(C2OCC2(C)C)ccc1OCC1(C)COC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ DHFR P00374 1/20 0.36
▸ DCPS Q96C86 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ MAPK3 P27361 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ HIF1A Q16665 3/20 0.35
▸ EPAS1 Q99814 3/20 0.35
▸ PTAFR P25105 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ TP53 P04637 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 0.85 FDPS (0.44) ALDH1A1ACHEMAPK3MAPK1HIF1A
SCHEMBL14193805 0.82 FDPS (0.41) ALDH1A1ACHEMAPK3MAPK1HIF1A
SCHEMBL14590522 0.81 ALDH1A1 (0.43) ALDH1A1ACHEMAPK3MAPK1PTAFR
SCHEMBL14590599 0.80 PDE4A (0.41) ALDH1A1ACHEMAPK3MAPK1HIF1A
SCHEMBL10329393 0.79 HIF1A (0.39) ALDH1A1ACHEMAPK3MAPK1HIF1A
SCHEMBL10329382 0.79 ACACB (0.43) DHFRDCPS
SCHEMBL14590591 0.77 PDE4A (0.39) ALDH1A1ACHEMAPK3MAPK1HIF1A
SCHEMBL14590511 0.76 ALDH1A1 (0.37) ALDH1A1ACHEMAPK3MAPK1PTAFR
SCHEMBL13651782 0.76 ALDH1A1 (0.37) ALDH1A1ACHEMAPK3MAPK1PTAFR
SCHEMBL14223465 0.75 HIF1A (0.40) ALDH1A1ACHEMAPK3MAPK1HIF1A

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 276/4885DHFR 3919/4885DCPS 4854/4885

“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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