SCHEMBL20117326

SCHEMBL20117326

C=CC(=O)OCCCCCCOc1ccc(CCC(=O)Oc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(OC(=O)CCc5ccccc5)cc4)cc3C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.43
FFAR1 O14842 4/20 0.41
AKR1C3 P42330 2/20 0.40
PPARG P37231 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.38
LTA4H P09960 2/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
PLA2G4B P0C869 2/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL20110406 0.97 MAPT (0.40) KMT2ATHRBPPARGHTTMAPT
SCHEMBL816206 0.94 THRB (0.40) KMT2ATHRBAKR1C3PPARGHTT
SCHEMBL20110402 0.92 MAPT (0.37) KMT2ATHRBPPARGHTTMAPT
SCHEMBL12604129 0.92 HTT (0.37) KMT2ATHRBAKR1C3PPARGHTT
SCHEMBL12893470 0.91 THRB (0.41) KMT2ATHRBAKR1C3PPARGHTT
SCHEMBL25767943 0.90 HTT (0.41) KMT2ATHRBHTTMAPTTDP1
SCHEMBL24937951 0.89 THRB (0.43) KMT2ATHRBPPARGHTTMAPT
SCHEMBL22430188 0.88 THRB (0.45) KMT2ATHRBFFAR1HTTMAPT
SCHEMBL14000686 0.88 THRB (0.45) KMT2ATHRBFFAR1HTTMAPT
SCHEMBL21791890 0.88 THRB (0.49) KMT2ATHRBPPARGHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 2060/4885THRB 4871/4885FFAR1 262/4885

“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.