SCHEMBL19796903

SCHEMBL19796903

C=CC(=O)OCCOc1cc(C2CCC(CCCCC)CC2)ccc1C1CCC(CCCO)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
THRB P10828 3/20 0.34
CYP2C9 P11712 1/20 0.34
PPARG P37231 5/20 0.33
PPARA Q07869 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SCN9A Q15858 1/20 0.33
THRA P10827 1/20 0.33
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL19804588 0.91 PPARG (0.38) HPGDTHRBPPARGPPARA
SCHEMBL19796451 0.88 THRB (0.39) HPGDTSHRTHRBPPARGALDH1A1
SCHEMBL19797123 0.86 CA1 (0.35) TSHRCYP2C9PPARGPPARAALDH1A1
SCHEMBL19804217 0.85 THRB (0.38) HPGDTSHRTHRBCYP2C9PPARG
SCHEMBL19797126 0.85 THRB (0.39) THRBPPARGPPARATHRASPHK1
SCHEMBL19796899 0.85 THRB (0.39) HPGDTSHRTHRBPPARGPPARA
SCHEMBL19796897 0.85 THRB (0.38) HPGDTSHRTHRBCYP2C9PPARG
SCHEMBL19796839 0.84 SPHK1 (0.37) HPGDTSHRTHRBCYP2C9PPARG
SCHEMBL19796767 0.84 CNR2 (0.36) HPGDTSHRTHRBCYP2C9PPARG
SCHEMBL19797101 0.84 THRB (0.37) THRBPPARGPPARATHRASPHK1

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 HPGD 4741/4885TSHR 4195/4885THRB 4323/4885

“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.