SCHEMBL815984

SCHEMBL815984

CCCCC1CCC(C2CCC(c3ccc(OC(C)CC(C)OC)cc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.36
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ SPHK1 Q9NYA1 3/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL816535 0.96 CYP2C9 (0.39) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9906539 0.93 CYP2C9 (0.43) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9906555 0.89 CYP2C9 (0.46) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9060290 0.82 IDO1 (0.43) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL10765110 0.81 DRD2 (0.51) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL10765104 0.81 DRD2 (0.51) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL13219125 0.81 CYP2C9 (0.46) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL10331187 0.80 CYP2C9 (0.42) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9471618 0.79 CYP2C9 (0.38) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL9337326 0.79 CYP2C9 (0.38) CYP2C9MAPTMEN1MAPK1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261201-B1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND DAINIPPON INK & CHEMICALS (JP) 2018-05-30 — — EP disclosed
US-8512597-B2 Polymerizable optically active imide compound and polymerizable composition containing the compound ADEKA CORPORATION (JP) 2013-08-20 — — US disclosed
US-8512597-B2 Polymerizable optically active imide compound and polymerizable composition containing the compound ADEKA CORPORATION (JP) 2013-08-20 — — US disclosed
US-8057701-B2 Trifunctional (meth)acrylate compound and polymerizable composition containing same ADEKA CORPORATION (JP) 2011-11-15 — — US disclosed
US-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORPORATION (JP) 2011-05-12 — — US disclosed
US-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORPORATION (JP) 2011-05-12 — — US disclosed
US-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2011-02-17 — — US disclosed
US-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2011-02-17 — — US disclosed
EP-2261201-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND Adeka Corporation (JP) 2010-12-15 — — EP 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 (2 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-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND H1-4, XPO4, F12 CYP2C9 800/4885MAPT 2630/4885MEN1 264/4885
US-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME PYM1, MT-CO1, MAT1A CYP2C9 1513/4885MAPT 1180/4885MEN1 255/4885

“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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