SCHEMBL20110388

SCHEMBL20110388

C=CC(=O)OCCCCCCOc1ccc(CCC(=O)Oc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(OC(=O)CCc5ccc(OCCCCCCOC(=O)C=C)cc5)cc4)c(C(=O)OC)c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
PPARG P37231 1/20 0.38
HTT P42858 1/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL20110404 0.99 MAPT (0.44) MAPTPPARGHTTKMT2ATHRB
SCHEMBL20110403 0.92 MAPT (0.44) MAPTPPARGHTTKMT2ATHRB
SCHEMBL20110394 0.92 MAPT (0.43) MAPTHTTKMT2ATHRBSMN1; SMN2
SCHEMBL13785250 0.91 MAPT (0.44) MAPTHTTKMT2ATHRBSMN1; SMN2
SCHEMBL19978524 0.90 MAPT (0.45) MAPTHTTKMT2ATHRBSMN1; SMN2
SCHEMBL20110406 0.89 MAPT (0.40) MAPTPPARGHTTKMT2ATHRB
SCHEMBL24764456 0.87 NPC1 (0.47) MAPTKMT2ASMN1; SMN2NFKB1NFKB2
SCHEMBL26642397 0.87 NPC1 (0.47) MAPTKMT2ASMN1; SMN2NFKB1NFKB2
SCHEMBL26062557 0.87 NPC1 (0.47) MAPTKMT2ASMN1; SMN2NFKB1NFKB2
SCHEMBL29343545 0.87 NPC1 (0.45) MAPTHTTKMT2ATHRBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180163135-A1 LIQUID CRYSTAL POLYMERIZED FILMS USING ALIGNMENT FILM AND POLYMERIZABLE LIQUID CRYSTAL COMPOSTION JNC CORPORATION (JP) 2018-06-14 US disclosed
US-20180119014-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL POLYMERIZED FILMS JNC CORPORATION (JP) 2018-05-03 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-20180119014-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL POLYMERIZED FILMS NAP1L1, CCNA1, NAP1L4 MAPT 371/4885PPARG 3569/4885HTT 3256/4885

“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.