SCHEMBL10329391

SCHEMBL10329391

CC1(C)COC1c1ccc(OCC2CCC3OC3C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.33
▸ PARP15 Q460N3 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ ACACB O00763 1/20 0.32

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
SCHEMBL10329979 0.82 PARP15 (0.41) PARP15PARP10PARP2ACACB
SCHEMBL10329398 0.79 TDP1 (0.31) —
SCHEMBL13651823 0.78 MAPT (0.39) —
SCHEMBL5819818 0.77 KDM4E (0.40) SIGMAR1PARP15PARP10PARP2
SCHEMBL16882662 0.77 MAOA (0.34) PARP15PARP10PARP2ACACB
SCHEMBL10329400 0.77 MAOA (0.34) PARP15PARP10PARP2ACACB
SCHEMBL10329392 0.76 ALDH1A1 (0.53) —
SCHEMBL19901450 0.75 HRH3 (0.43) PARP15PARP10PARP2
SCHEMBL13651779 0.74 ALDH1A1 (0.49) —
SCHEMBL13651821 0.74 ALDH1A1 (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298753-B1 Novel oxetane compound, active energy ray-curable composition, active energy ray-curable ink composition and inkjet recording method FUJIFILM CORP (JP) 2015-07-08 — — EP 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-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
EP-2298753-A1 Novel oxetane compound, active energy ray-curable composition, active energy ray-curable ink composition and inkjet recording method Fujifilm Corporation (JP) 2011-03-23 — — EP 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 SIGMAR1 1984/4885PARP15 1044/4885PARP10 3288/4885

“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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