SCHEMBL10329389

SCHEMBL10329389

CC1(C)COC1c1ccc(OCCC2CO2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ PKM P14618 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 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 0.88 MAPT (0.39) MAPTALDH1A1MAOAMAOBPKM
SCHEMBL10329392 0.85 ALDH1A1 (0.53) MAPTHPGDALDH1A1TP53TSHR
SCHEMBL13651779 0.84 ALDH1A1 (0.49) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL13651821 0.84 ALDH1A1 (0.36) MAPTALDH1A1TSHRLMNANPC1
SCHEMBL4806456 0.84 NPC1 (0.48) MAPTALDH1A1CYP1A2MAOAMAOB
SCHEMBL4809265 0.82 MAPT (0.35) MAPTALDH1A1MAOAMAOBPKM
SCHEMBL13651771 0.81 TDP1 (0.49) MAPTALDH1A1TP53TSHRMEN1
SCHEMBL14193810 0.81 NPC1 (0.37) MAPTALDH1A1MAOAMAOBPKM
SCHEMBL14193812 0.81 LMNA (0.39) MAPTALDH1A1MEN1KMT2AMAOA
SCHEMBL14193797 0.81 LMNA (0.51) MAPTALDH1A1TP53TSHRMAOA

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 5 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
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 MAPT 421/4885HPGD 832/4885ALDH1A1 276/4885

“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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