SCHEMBL15425237

SCHEMBL15425237

C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc3cc(OC(=O)c4ccc(OCCCCOC(=O)C=C)cc4)ccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
HTT P42858 3/20 0.47
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL12604136 0.99 HTT (0.49) THRBHTTCYP3A4TSHRALDH1A1
SCHEMBL7452373 0.93 THRB (0.54) THRBHTTCYP3A4TSHRALDH1A1
SCHEMBL13899698 0.93 THRB (0.44) THRBHTTCYP3A4TSHRALDH1A1
SCHEMBL816207 0.92 ALDH1A1 (0.53) THRBHTTCYP3A4TSHRALDH1A1
SCHEMBL12975827 0.92 ALDH1A1 (0.53) THRBHTTCYP3A4TSHRALDH1A1
SCHEMBL12604105 0.92 ALDH1A1 (0.53) THRBHTTCYP3A4TSHRALDH1A1
SCHEMBL18352736 0.92 HTT (0.44) THRBHTTCYP3A4TSHRALDH1A1
SCHEMBL16674157 0.92 THRB (0.55) THRBHTTCYP3A4TSHRALDH1A1
SCHEMBL12794252 0.92 THRB (0.55) THRBHTTCYP3A4TSHRALDH1A1
SCHEMBL7620848 0.92 THRB (0.55) THRBHTTCYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512362-B2 Compound, liquid crystal composition, polymer material and film FUJIFILM CORPORATION (JP) 2016-12-06 US disclosed
US-9512362-B2 Compound, liquid crystal composition, polymer material and film FUJIFILM CORPORATION (JP) 2016-12-06 US disclosed
US-9481829-B2 Compound, haze-lowering agent, liquid crystal composition, polymer material, and film FUJIFILM CORPORATION (JP) 2016-11-01 US disclosed
US-9481829-B2 Compound, haze-lowering agent, liquid crystal composition, polymer material, and film FUJIFILM CORPORATION (JP) 2016-11-01 US disclosed
US-9464232-B2 Compound, liquid crystal composition, polymer material, and film FUJIFILM CORPORATION (JP) 2016-10-11 US disclosed
US-9464232-B2 Compound, liquid crystal composition, polymer material, and film FUJIFILM CORPORATION (JP) 2016-10-11 US disclosed
US-9290697-B2 Liquid crystal orientation promoter, liquid crystalline composition, macromolecular material and film FUJIFILM CORPORATION (JP) 2016-03-22 US disclosed
US-9290697-B2 Liquid crystal orientation promoter, liquid crystalline composition, macromolecular material and film FUJIFILM CORPORATION (JP) 2016-03-22 US disclosed
US-20140374657-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND FILM FUJIFILM CORPORATION (JP) 2014-12-25 US disclosed
US-20140374657-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND FILM FUJIFILM CORPORATION (JP) 2014-12-25 US disclosed
US-20140339470-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL, AND FILM FUJIFILM CORPORATION (JP) 2014-11-20 US disclosed
US-20140339470-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL, AND FILM FUJIFILM CORPORATION (JP) 2014-11-20 US disclosed
US-20140138580-A1 COMPOUND, HAZE-LOWERING AGENT, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL, AND FILM FUJIFILM CORPORATION (JP) 2014-05-22 US disclosed
US-20140138580-A1 COMPOUND, HAZE-LOWERING AGENT, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL, AND FILM FUJIFILM CORPORATION (JP) 2014-05-22 US disclosed
US-20140014877-A1 LIQUID CRYSTAL ORIENTATION PROMOTER, LIQUID CRYSTALLINE COMPOSITION, MACROMOLECULAR MATERIAL AND FILM FUJIFILM CORPORATION (JP) 2014-01-16 US disclosed
US-20140014877-A1 LIQUID CRYSTAL ORIENTATION PROMOTER, LIQUID CRYSTALLINE COMPOSITION, MACROMOLECULAR MATERIAL AND FILM FUJIFILM CORPORATION (JP) 2014-01-16 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-20140339470-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL, AND FILM CCL11, AQP1, FANCF THRB 4813/4885HTT 942/4885CYP3A4 3137/4885

“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.