SCHEMBL20110403

SCHEMBL20110403

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 3/20 0.41
PPARG P37231 1/20 0.38
HTT P42858 2/20 0.38
THRB P10828 3/20 0.38
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 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
SCHEMBL20110388 0.92 MAPT (0.45) MAPTKMT2APPARGHTTTHRB
SCHEMBL20110404 0.91 MAPT (0.44) MAPTKMT2APPARGHTTTHRB
SCHEMBL12975848 0.91 MAPT (0.53) MAPTPOLBKDM4EMAPK1KMT2A
SCHEMBL20110406 0.89 MAPT (0.40) MAPTKMT2APPARGHTTTHRB
SCHEMBL12604112 0.88 HTT (0.46) MAPTPOLBKMT2AHTTTHRB
SCHEMBL26639377 0.87 MAPT (0.49) MAPTPOLBKDM4EMAPK1KMT2A
SCHEMBL26639375 0.87 MAPT (0.49) MAPTPOLBKDM4EMAPK1KMT2A
SCHEMBL816206 0.87 THRB (0.40) MAPTKMT2APPARGHTTTHRB
SCHEMBL20117326 0.86 KMT2A (0.44) MAPTKMT2APPARGHTTTHRB
SCHEMBL29343541 0.86 MAPT (0.50) MAPTPOLBKDM4EMAPK1KMT2A

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 371/4885POLB 1874/4885KDM4E 2829/4885

“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.