SCHEMBL19804728

SCHEMBL19804728

C=C(C)C(=O)OCCOc1cc(-c2ccc(-c3ccccc3)cc2CC)ccc1-c1ccc(CCCO)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.37
RARA P10276 2/20 0.37
RARG P13631 2/20 0.37
LTB4R Q15722 6/20 0.36
LTB4R2 Q9NPC1 6/20 0.36
SLC6A9 P48067 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
EGFR P00533 2/20 0.35
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
ESR1 P03372 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 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
SCHEMBL19797089 0.93 RARB (0.41) RARBRARARARGPDE4APDE4B
SCHEMBL19804161 0.90 SLC6A9 (0.39) RARBRARARARGSLC6A9PDE4A
SCHEMBL19803285 0.90 CYP11B1 (0.38) RARBRARARARGLTB4RLTB4R2
SCHEMBL19804494 0.86 RARB (0.41) RARBRARARARGLTB4RLTB4R2
SCHEMBL19804168 0.85 SLC6A9 (0.40) RARBRARASLC6A9PDE4AEGFR
SCHEMBL19804627 0.85 EGFR (0.45) SLC6A9PDE4APDE4BPDE4CPDE4D
SCHEMBL19796807 0.84 RARB (0.45) RARBRARARARG
SCHEMBL19804347 0.83 LTB4R (0.39) RARBRARARARGLTB4RLTB4R2
SCHEMBL19796352 0.83 RARB (0.36) RARBLTB4RPPARA
SCHEMBL19804533 0.83 RARB (0.44) RARBRARARARGLTB4RLTB4R2

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 RARB 3517/4885RARA 3585/4885RARG 3736/4885

“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.