SCHEMBL12604124

SCHEMBL12604124

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(CCOC(=O)C=C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.50
HTT P42858 3/20 0.47
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 6/20 0.42
RAB9A P51151 1/20 0.42
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42
POLB P06746 2/20 0.41

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
SCHEMBL20615638 0.98 THRB (0.48) THRBHTTCYP3A4ALDH1A1TSHR
SCHEMBL18353286 0.98 THRB (0.48) THRBHTTCYP3A4ALDH1A1TSHR
SCHEMBL20616090 0.98 THRB (0.48) THRBHTTCYP3A4ALDH1A1TSHR
SCHEMBL20615639 0.98 THRB (0.48) THRBHTTCYP3A4ALDH1A1TSHR
SCHEMBL22138769 0.98 THRB (0.48) THRBHTTCYP3A4ALDH1A1TSHR
SCHEMBL816901 0.98 THRB (0.48) THRBHTTCYP3A4ALDH1A1TSHR
SCHEMBL22138764 0.98 THRB (0.48) THRBHTTCYP3A4ALDH1A1TSHR
SCHEMBL20616070 0.98 THRB (0.48) THRBHTTCYP3A4ALDH1A1TSHR
SCHEMBL20616102 0.96 THRB (0.49) THRBHTTCYP3A4ALDH1A1TSHR
SCHEMBL20672698 0.96 THRB (0.49) THRBHTTCYP3A4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243813-B1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE COMPRISING THE LIQUID CRYSTAL COMPOSITION ADEKA CORP (JP) 2015-11-04 EP disclosed
EP-2325168-B1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORP (JP) 2014-03-19 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-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-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
EP-2325168-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND Adeka Corporation (JP) 2011-05-25 EP 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-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
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
EP-2243813-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL DISPLAY ELEMENT COMPRISING THE LIQUID CRYSTAL COMPOSITION Adeka Corporation (JP) 2010-10-27 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 (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-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND H1-4, XPO4, F12 THRB 4794/4885HTT 3538/4885CYP3A4 124/4885

“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.