SCHEMBL19804111

SCHEMBL19804111

C=CC(=O)OCc1cc(-c2ccc(-c3ccccc3)cc2C)ccc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
PTGS1 P23219 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
SLC2A1 P11166 1/20 0.35
THRB P10828 1/20 0.35
EGFR P00533 3/20 0.35
FFAR1 O14842 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
GSTO1 P78417 1/20 0.33
AVPR2 P30518 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
AVPR1B P47901 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
EPHX1 P07099 2/20 0.33

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
SCHEMBL19804750 0.87 PTGS1 (0.36) PTGS1THRB
SCHEMBL19804116 0.87 PTGS1 (0.36) PTGS1THRB
SCHEMBL19796716 0.85 RARB (0.48) THRB
SCHEMBL19804309 0.84 ESR2 (0.39) ESR2PPARGPPARAPTGS1MRGPRX4
SCHEMBL19803980 0.83 MCL1 (0.34) THRBFFAR1
SCHEMBL19804679 0.81 FFAR1 (0.41) PTGS1THRBEGFRFFAR1
SCHEMBL19804794 0.81 PDE1A (0.38) PTGS1THRBEGFRFFAR1GSTO1
SCHEMBL19801984 0.80 THRB (0.39) ESR2PPARGPPARAPTGS1SLC2A1
SCHEMBL19804144 0.80 RARA (0.37) PTGS1THRBEGFRGSTO1MMP2
SCHEMBL19804167 0.79 ERN1 (0.38) ESR2MRGPRX4THRB

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 ESR2 2556/4885PPARG 3314/4885PPARA 3672/4885

“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.