SCHEMBL12855817

SCHEMBL12855817

CC12OCC(COc3ccc(C4OCC4(C)C)cc3)(CO1)CO2

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ACACB O00763 1/20 0.30

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
SCHEMBL12855807 0.86 — —
SCHEMBL13651823 0.81 MAPT (0.39) ESR1ESR2ALDH1A1MAPT
SCHEMBL10329382 0.80 ACACB (0.43) ACACB
SCHEMBL13183274 0.79 NQO1 (0.47) ALDH1A1MAPTACACB
SCHEMBL10329404 0.77 OPRM1 (0.43) —
SCHEMBL4806456 0.77 NPC1 (0.48) ALDH1A1MAPT
SCHEMBL13651779 0.77 ALDH1A1 (0.49) ALDH1A1MAPT
SCHEMBL4809265 0.75 MAPT (0.35) ALDH1A1MAPT
SCHEMBL13651820 0.75 TSHR (0.36) ESR1ESR2ALDH1A1MAPT
SCHEMBL5351705 0.75 NPC1 (0.35) ESR1ESR2MAPT

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-7888401-B2 Ink composition and inkjet ink, and image-forming method and recorded material using the same, and oxetane compound FUJIFILM CORPORATION (JP) 2011-02-15 — — US disclosed
US-7888401-B2 Ink composition and inkjet ink, and image-forming method and recorded material using the same, and oxetane compound FUJIFILM CORPORATION (JP) 2011-02-15 — — US disclosed
US-20080033072-A1 Ink composition and inkjet ink, and image-forming method and recorded material using the same, and oxetane compound FUJIFILM CORPORATION (JP) 2008-02-07 — — US disclosed
US-20080033072-A1 Ink composition and inkjet ink, and image-forming method and recorded material using the same, and oxetane compound FUJIFILM CORPORATION (JP) 2008-02-07 — — 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-20080033072-A1 Ink composition and inkjet ink, and image-forming method and recorded material using the same, and oxetane compound OXER1, IPO11, NOXO1 ESR1 2669/4885ESR2 3504/4885ALDH1A1 1651/4885

“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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