SCHEMBL815871

SCHEMBL815871

Cc1cc(OC(=O)C2CCC(C3CCC(C)CC3)CC2)c(C)c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4B Q07343 1/20 0.36
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GBA1 P04062 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 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
SCHEMBL815637 0.96 KMT2A (0.39) KMT2AMEN1RAB9AL3MBTL1PDE4B
SCHEMBL816194 0.88 KMT2A (0.34) KMT2AMEN1RAB9AL3MBTL1PDE4B
SCHEMBL815857 0.87 CYP3A4 (0.41) KMT2AMEN1RAB9AL3MBTL1PDE4B
SCHEMBL13135271 0.85 KMT2A (0.38) KMT2AMEN1RAB9AL3MBTL1PDE4B
SCHEMBL5961798 0.82 KMT2A (0.41) KMT2AMEN1L3MBTL1POLBHTT
SCHEMBL816183 0.82 KMT2A (0.38) KMT2AMEN1RAB9AL3MBTL1PDE4B
SCHEMBL19678430 0.81 KMT2A (0.42) KMT2AMEN1RAB9AL3MBTL1PDE4B
SCHEMBL13174793 0.80 KMT2A (0.34) KMT2AMEN1RAB9AL3MBTL1PDE4B
SCHEMBL5961803 0.77 KMT2A (0.44) KMT2AMEN1L3MBTL1POLBHTT
SCHEMBL9999753 0.75 KMT2A (0.38) KMT2AMEN1RAB9AL3MBTL1PDE4B

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 KMT2A 3009/4885MEN1 264/4885RAB9A 3238/4885
US-20110037025-A1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING SAME PYM1, MT-CO1, MAT1A KMT2A 1215/4885MEN1 255/4885RAB9A 4025/4885

“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.