SCHEMBL10329387

SCHEMBL10329387

C=COc1ccc(C2OCC2(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5351705 0.81 NPC1 (0.35) NPC1RAB9ASMN1; SMN2
SCHEMBL5346745 0.80 SMN1; SMN2 (0.37) NPC1RAB9ASMN1; SMN2
SCHEMBL10329383 0.80 ALDH1A1 (0.33) NPC1
SCHEMBL273057 0.80 KDM1A (0.43) —
SCHEMBL10329390 0.78 ALDH1A1 (0.35) NPC1
SCHEMBL10090120 0.77 — —
SCHEMBL13651823 0.77 MAPT (0.39) NPC1
SCHEMBL14590554 0.75 ALDH1A1 (0.35) NPC1RAB9ASMN1; SMN2
SCHEMBL13651780 0.75 POLB (0.42) NPC1RAB9ASMN1; SMN2
SCHEMBL14026806 0.75 POLB (0.33) NPC1RAB9ASMN1; SMN2

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 NPC1 4566/4885RAB9A 1036/4885SMN1; SMN2 3171/4885

“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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