SCHEMBL17546758

SCHEMBL17546758

C=C(C)COc1cc(-c2ccc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)c2)c(OCC(=C)C)cc1-c1ccc(-c2ccc(OC(=O)C(=C)C)c(OC(=O)C(=C)C)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 1/20 0.37
BACE1 P56817 1/20 0.37
PTGDR2 Q9Y5Y4 6/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AKR1C3 P42330 1/20 0.36
EGFR P00533 1/20 0.36
SLC6A9 P48067 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SNCA P37840 1/20 0.34

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
SCHEMBL17546862 0.96 GAPDH (0.39) GAPDHBACE1PTGDR2KDM4EMAPT
SCHEMBL17546934 0.92 KDM4E (0.39) GAPDHKDM4EMAPTMEN1NPC1
SCHEMBL17546888 0.91 AKR1C3 (0.41) GAPDHKDM4EMAPTMEN1NPC1
SCHEMBL17547000 0.89 AKR1C3 (0.41) GAPDHKDM4EMAPTMEN1NPC1
SCHEMBL17546997 0.89 AKR1C3 (0.42) KDM4EMAPTMEN1NPC1TP53
SCHEMBL20195849 0.88 MAPT (0.38) BACE1PTGDR2KDM4EMAPTMEN1
SCHEMBL17547381 0.88 AKR1C3 (0.43) KDM4EMAPTMEN1NPC1TP53
SCHEMBL17546910 0.85 BACE1 (0.46) BACE1PTGDR2KDM4EMAPTMEN1
SCHEMBL17546774 0.85 KMT2A (0.42) BACE1KDM4EMAPTMEN1NPC1
SCHEMBL20252386 0.85 ELANE (0.42) BACE1PTGDR2KMT2ASLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3327045-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-05-30 EP disclosed
US-20160075950-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-03-17 US disclosed
EP-2990424-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2016-03-02 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-20160075950-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE PYM1, DRD1, PLD1 GAPDH 4797/4885BACE1 4605/4885PTGDR2 507/4885

“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.