SCHEMBL19804288

SCHEMBL19804288

C=C(C)C(=O)OCCOc1cc(-c2ccc(-c3ccccc3)cc2C)ccc1CCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
SLC6A9 P48067 4/20 0.38
RARB P10826 2/20 0.36
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
SLC2A1 P11166 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
DGAT1 O75907 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL19804337 0.94 RARB (0.39) EGFRSLC6A9RARBRARARARG
SCHEMBL19804328 0.93 EGFR (0.39) EGFRSLC6A9RARBRARARARG
SCHEMBL19804285 0.92 SLC6A9 (0.40) EGFRSLC6A9PDE4APDE4BPDE4C
SCHEMBL19804448 0.91 SLC6A9 (0.41) EGFRSLC6A9PDE4APDE4BPDE4C
SCHEMBL19804454 0.90 RARA (0.39) EGFRSLC6A9RARBRARARARG
SCHEMBL19804413 0.90 SLC6A9 (0.41) EGFRSLC6A9RARBRARARARG
SCHEMBL19804308 0.89 ALOX5AP (0.40) EGFRSLC6A9PDE4ALTB4RLTB4R2
SCHEMBL19804067 0.89 FFAR1 (0.35) RARBPOLBAPEX1HTTTDP1
SCHEMBL19796560 0.87 RARB (0.45) RARBRARARARGPDE4APDE4B
SCHEMBL19804300 0.86 POLB (0.35) EGFRSLC6A9RARBRARARARG

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 EGFR 3426/4885SLC6A9 2938/4885RARB 3517/4885

“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.