SCHEMBL19804229

SCHEMBL19804229

C=CC(=O)OCc1cc(-c2ccc3cc(CCCO)ccc3c2)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.41
CYP4A11 Q02928 2/20 0.37
CYP4F2 P78329 1/20 0.37
FFAR4 Q5NUL3 1/20 0.35
ALOX5 P09917 2/20 0.34
PTGES O14684 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PPARA Q07869 1/20 0.33
FGFR4 P22455 1/20 0.33
CYP1A2 P05177 2/20 0.33
NR1H2 P55055 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
RARA P10276 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
SCHEMBL19796473 0.87 THRB (0.44) THRBCYP4A11CYP4F2FFAR4ALOX5
SCHEMBL19624374 0.85 CYP4F2 (0.40) THRBCYP4A11CYP4F2FFAR4MTNR1A
SCHEMBL19804338 0.83 PTGER4 (0.41) THRBALOX5MTNR1AMTNR1B
SCHEMBL19804662 0.81 THRB (0.36) THRBCYP4A11CYP4F2FFAR4RARA
SCHEMBL19804027 0.80 THRB (0.46) THRBCYP4A11CYP4F2PPARANPC1
SCHEMBL19796928 0.78 THRB (0.41) THRBCYP4A11CYP4F2FFAR4PPARA
SCHEMBL19796896 0.77 THRB (0.51) THRBRARARARBRARGMAPT
SCHEMBL19804484 0.77 CYP4F2 (0.37) THRBCYP4A11CYP4F2FFAR4RARA
SCHEMBL19804665 0.76 FFAR1 (0.42) THRBFFAR4
SCHEMBL19804204 0.76 CYP4A11 (0.38) THRBCYP4A11CYP4F2PPARANR1H2

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 4323/4885CYP4A11 1991/4885CYP4F2 2577/4885

“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.