SCHEMBL816186

SCHEMBL816186

Cc1cc(OCC2CCC(COc3c(C)cc(C)c(C)c3C)CC2)c(C)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CNR2 P34972 5/20 0.33
PDE4B Q07343 5/20 0.32
BRD4 O60885 2/20 0.32
PDE4D Q08499 1/20 0.32
PDE10A Q9Y233 1/20 0.31
HPGD P15428 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 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
SCHEMBL20204815 0.76 HTR1A (0.47) RIPK1HPGD
SCHEMBL7734885 0.75 ALDH1A1 (0.54) HPGDHTR2AHTR2B
SCHEMBL14943724 0.73 HTR1A (0.42) RIPK1
SCHEMBL4947341 0.73 ALDH1A1 (0.47) HPGD
SCHEMBL20679044 0.73 ALDH1A1 (0.56) HPGD
SCHEMBL12401804 0.69 RIPK1 (0.39) RIPK1CNR2
SCHEMBL13475569 0.68 HPGD (0.49) HPGD
SCHEMBL816297 0.68 SCN9A (0.38) RIPK1CNR2HPGD
SCHEMBL20376455 0.68 HTR2A (0.38) RIPK1CNR2BRD4PDE10AHTR2A
SCHEMBL14877969 0.68 KMT2A (0.43) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475991-B2 Polymerizable liquid crystal composition, polarized light-emitting coating material, novel naphtholactam derivative novel coumarin derivative, novel nile red derivative, and novel anthracene derivative ADEKA CORPORATION (JP) 2016-10-25 US disclosed
US-8663497-B2 Liquid crystal composition comprising polymerizable compound, and liquid crystal display element using said liquid crystal composition ADEKA CORPORATION (JP) 2014-03-04 US disclosed
US-20130334461-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLARIZED LIGHT-EMITTING COATING MATERIAL, NOVEL NAPHTHOLACTAM DERIVATIVE NOVEL COUMARIN DERIVATIVE, NOVEL NILE RED DERIVATIVE, AND NOVEL ANTHRACENE DERIVATIVE ADEKA CORPORATION (JP) 2013-12-19 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-8283000-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display using the liquid crystal composition ADEKA CORPORATION (JP) 2012-10-09 US disclosed
US-20120200794-A1 LIQUID CRYSTAL COMPOSITION COMPRISING POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAID LIQUID CRYSTAL COMPOSITION ADEKA CORPORATION (JP) 2012-08-09 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-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2011-02-17 US disclosed
US-20100328601-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY USING THE LIQUID CRYSTAL COMPOSITION ADEKA CORPORATION (JP) 2010-12-30 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 (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 RIPK1 3651/4885NOS3 269/4885NOS1 594/4885
US-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME PYM1, MT-CO1, MAT1A RIPK1 1502/4885NOS3 71/4885NOS1 92/4885

“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.