SCHEMBL20110402

SCHEMBL20110402

C=CC(=O)Cc1ccc(CCC(=O)Oc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(OC(=O)CCc5ccc(OCCCCCCOC(=O)C=C)cc5)cc4)c(C)c3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
PPARG P37231 1/20 0.36
HTT P42858 2/20 0.36
THRB P10828 3/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL20110406 0.95 MAPT (0.40) MAPTPPARGHTTTHRBNPC1
SCHEMBL816206 0.92 THRB (0.40) MAPTPPARGHTTTHRBNPC1
SCHEMBL20117326 0.92 KMT2A (0.44) MAPTPPARGHTTTHRBKMT2A
SCHEMBL12604129 0.90 HTT (0.37) MAPTPPARGHTTTHRBNPC1
SCHEMBL12893470 0.90 THRB (0.41) MAPTPPARGHTTTHRBNPC1
SCHEMBL25767943 0.89 HTT (0.41) MAPTHTTTHRBNPC1LMNA
SCHEMBL24937951 0.88 THRB (0.43) MAPTPPARGHTTTHRBNPC1
SCHEMBL17245088 0.87 MAPT (0.38) MAPTPPARGHTTTHRBNPC1
SCHEMBL19986313 0.87 MAPT (0.36) MAPTHTTTHRBNPC1LMNA
SCHEMBL22430188 0.87 THRB (0.45) MAPTHTTTHRBNPC1LMNA

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 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.