SCHEMBL20110404

SCHEMBL20110404

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(CCC(=O)Oc3ccc(OC(=O)CCc4ccc(OC(=O)c5ccc(OCCCCCCOC(=O)C=C)cc5)cc4)c(C(=O)OC)c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
PPARG P37231 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKR1C3 P42330 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 0.99 MAPT (0.45) MAPTCA12CA1CA2CA4
SCHEMBL20110403 0.91 MAPT (0.44) MAPTPPARGHTTKMT2ATHRB
SCHEMBL20110394 0.91 MAPT (0.43) MAPTHTTKMT2ATHRBNFKB1
SCHEMBL13785250 0.90 MAPT (0.44) MAPTHTTKMT2ATHRBNFKB1
SCHEMBL19978524 0.89 MAPT (0.45) MAPTCA12CA1CA2CA4
SCHEMBL816362 0.88 MAPT (0.45) MAPTCA12CA1CA2CA4
SCHEMBL20110406 0.88 MAPT (0.40) MAPTPPARGHTTKMT2ATHRB
SCHEMBL816206 0.87 THRB (0.40) MAPTCA12CA1CA2CA4
SCHEMBL24764456 0.87 NPC1 (0.47) MAPTKMT2ANFKB1NFKB2RELA
SCHEMBL26642397 0.87 NPC1 (0.47) MAPTKMT2ANFKB1NFKB2RELA

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 371/4885CA12 901/4885CA1 471/4885

“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.