SCHEMBL10329392

SCHEMBL10329392

CC1(C)COC1c1ccc(OCC2CO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ MAPT P10636 5/20 0.53
▸ TP53 P04637 3/20 0.53
▸ TSHR P16473 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ PPARG P37231 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.51
▸ PKM P14618 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ GLA P06280 1/20 0.41
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL10329389 0.85 MAPT (0.37) ALDH1A1MAPTTP53TSHRHPGD
SCHEMBL13651823 0.84 MAPT (0.39) ALDH1A1MAPTPKMLMNANPC1
SCHEMBL13183274 0.83 NQO1 (0.47) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL4809265 0.82 MAPT (0.35) ALDH1A1MAPTPKMLMNANPC1
SCHEMBL14193810 0.81 NPC1 (0.37) ALDH1A1MAPTPKMLMNASMN1; SMN2
SCHEMBL14193812 0.81 LMNA (0.39) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL10329979 0.80 PARP15 (0.41) TDP1
SCHEMBL13651779 0.80 ALDH1A1 (0.49) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL13651821 0.80 ALDH1A1 (0.36) ALDH1A1MAPTTSHRLMNAAPP
SCHEMBL10329404 0.80 OPRM1 (0.43) TP53APPHRH3

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 ALDH1A1 276/4885MAPT 421/4885TP53 4126/4885

“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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