SCHEMBL10329382

SCHEMBL10329382

CC1(COc2ccc(C3OCC3(C)C)cc2)COC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.43
▸ SLC5A1 P13866 1/20 0.41
▸ SLC5A2 P31639 1/20 0.41
▸ FLT3 P36888 12/20 0.37
▸ DHFR P00374 1/20 0.34
▸ DCPS Q96C86 1/20 0.34
▸ CACNA1H O95180 2/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1I Q9P0X4 1/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ BACE1 P56817 1/20 0.33

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 0.83 MAPT (0.39) —
SCHEMBL9935890 0.82 ACACB (0.50) ACACBSLC5A1SLC5A2FLT3DHFR
SCHEMBL13183274 0.81 NQO1 (0.47) ACACB
SCHEMBL12855817 0.80 ESR1 (0.31) ACACB
SCHEMBL13651821 0.79 ALDH1A1 (0.36) —
SCHEMBL4806456 0.79 NPC1 (0.48) —
SCHEMBL10329404 0.79 OPRM1 (0.43) —
SCHEMBL13651779 0.79 ALDH1A1 (0.49) —
SCHEMBL10329399 0.79 ALDH1A1 (0.36) DHFRDCPS
SCHEMBL10329392 0.78 ALDH1A1 (0.53) —

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 ACACB 2666/4885SLC5A1 1207/4885SLC5A2 2542/4885

“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.

Send feedback