SCHEMBL19804281

SCHEMBL19804281

C=C(C)C(=O)OCc1cc(-c2ccc(-c3ccccc3)cc2C)ccc1CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.37
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
PTGS1 P23219 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
SLC2A1 P11166 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EGFR P00533 2/20 0.34
HSD17B1 P14061 1/20 0.34
EPHX1 P07099 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
FFAR1 O14842 1/20 0.33
PTGER4 P35408 2/20 0.33
PTGER3 P43115 2/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 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
SCHEMBL19804043 0.94 ESR2 (0.36) ESR2PPARGPPARAPTGS1MRGPRX4
SCHEMBL19804309 0.91 ESR2 (0.39) ESR2PPARGPPARAPTGS1MRGPRX4
SCHEMBL19804039 0.91 DCLRE1A (0.37) PTGS1RARARARBRARGMEN1
SCHEMBL19804359 0.90 RARA (0.37) PTGS1RARARARBRARGEGFR
SCHEMBL19804719 0.90 RARB (0.35) ESR2PPARGPPARAPTGS1MRGPRX4
SCHEMBL19804300 0.89 POLB (0.35) ESR2PPARGPPARAPTGS1SLC2A1
SCHEMBL19804275 0.88 PTGS1 (0.38) PTGS1RARARARBRARGMEN1
SCHEMBL19804044 0.88 SLC2A1 (0.37) ESR2PPARGPPARAPTGS1SLC2A1
SCHEMBL19804259 0.88 MMP2 (0.35) PPARGPPARARARARARBRARG
SCHEMBL19804732 0.87 PTGS1 (0.38) PTGS1MEN1KMT2AEGFRFFAR1

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.