SCHEMBL19796897

SCHEMBL19796897

C=CC(=O)OCCOc1cc(C2CCC(CCCCC)CC2)ccc1-c1ccc(CCO)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.38
SPHK1 Q9NYA1 4/20 0.36
PPARG P37231 6/20 0.35
PPARA Q07869 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
CYP2C9 P11712 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
RARB P10826 1/20 0.32

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
SCHEMBL19797126 0.95 THRB (0.39) THRBSPHK1PPARGPPARAFFAR4
SCHEMBL19796835 0.95 SPHK1 (0.36) THRBSPHK1PPARGPPARAFFAR4
SCHEMBL19797101 0.93 THRB (0.37) THRBSPHK1PPARGPPARAFFAR4
SCHEMBL19796899 0.91 THRB (0.39) THRBPPARGPPARAFFAR4HPGD
SCHEMBL19797112 0.91 SPHK1 (0.38) THRBSPHK1FFAR4PTPN1PTPN6
SCHEMBL19796839 0.90 SPHK1 (0.37) THRBSPHK1PPARGPPARAFFAR4
SCHEMBL19796834 0.90 THRB (0.36) THRBSPHK1PPARGPPARAFFAR4
SCHEMBL19797102 0.89 THRB (0.38) THRBPPARGPPARAFFAR4HPGD
SCHEMBL19796871 0.89 SPHK1 (0.35) SPHK1PPARGPPARAFFAR4TSHR
SCHEMBL19796842 0.88 RAB9A (0.38) THRBPPARGPPARAFFAR4HPGD

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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, C1S, AP3D1 THRB 4323/4885SPHK1 608/4885PPARG 3314/4885

“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.