SCHEMBL10329979

SCHEMBL10329979

CC1(C)COC1c1ccc(OCC2CCC(O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PARP15 Q460N3 4/20 0.41
▸ PARP10 Q53GL7 4/20 0.41
▸ PARP2 Q9UGN5 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.38
▸ ACACB O00763 4/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ PDK2 Q15119 1/20 0.36

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
SCHEMBL10329391 0.82 SIGMAR1 (0.33) PARP15PARP10PARP2ACACB
SCHEMBL16882662 0.81 MAOA (0.34) PARP15PARP10PARP2TDP1ACACB
SCHEMBL10329400 0.81 MAOA (0.34) PARP15PARP10PARP2TDP1ACACB
SCHEMBL10329392 0.80 ALDH1A1 (0.53) TDP1
SCHEMBL13651823 0.79 MAPT (0.39) —
SCHEMBL13183274 0.78 NQO1 (0.47) TDP1ACACB
SCHEMBL10329398 0.78 TDP1 (0.31) TDP1
SCHEMBL9291787 0.76 HRH3 (0.54) PARP15PARP10PARP2TDP1ACACB
SCHEMBL9561962 0.76 HRH3 (0.54) PARP15PARP10PARP2TDP1ACACB
SCHEMBL9291783 0.76 HRH3 (0.54) PARP15PARP10PARP2TDP1ACACB

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-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

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 PARP15 1044/4885PARP10 3288/4885PARP2 2070/4885

“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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