SCHEMBL19796401

SCHEMBL19796401

C=CC(=O)OCCOc1cc(CCO)cc(OCCOC(=O)C=C)c1C1CCC(CCCCC)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
ACE2 Q9BYF1 3/20 0.38
THRB P10828 4/20 0.35
PPARG P37231 3/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
OPRM1 P35372 1/20 0.33
THRA P10827 1/20 0.33
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 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
SCHEMBL19796856 0.97 TSHR (0.36) TSHRHPGDACE2THRBPPARG
SCHEMBL19796399 0.84 SCN9A (0.38) TSHRHPGDTHRBPPARGCNR1
SCHEMBL19796835 0.84 SPHK1 (0.36) TSHRHPGDTHRBPPARG
SCHEMBL19796897 0.82 THRB (0.38) TSHRHPGDTHRBPPARG
SCHEMBL19796855 0.82 SCN9A (0.36) TSHRHPGDTHRBPPARGCNR1
SCHEMBL19804011 0.82 THRB (0.41) TSHRHPGDTHRB
SCHEMBL19796903 0.81 HPGD (0.36) TSHRHPGDTHRBPPARGCNR1
SCHEMBL19804649 0.80 THRB (0.38) TSHRTHRB
SCHEMBL19796839 0.80 SPHK1 (0.37) TSHRHPGDTHRBPPARG
SCHEMBL19796834 0.79 THRB (0.36) TSHRHPGDTHRBPPARG

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 TSHR 4195/4885HPGD 4741/4885ACE2 3434/4885

“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.