SCHEMBL19804347

SCHEMBL19804347

C=C(C)C(=O)OCCOc1cc(-c2ccc(-c3ccccc3)cc2F)ccc1CCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.39
LTB4R2 Q9NPC1 5/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
SLC6A9 P48067 2/20 0.37
EGFR P00533 1/20 0.36
PDE4A P27815 3/20 0.35
PGR P06401 1/20 0.35
PTGS1 P23219 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34

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
SCHEMBL19804544 0.96 LTB4R (0.38) LTB4RLTB4R2ALOX5APFEN1SLC6A9
SCHEMBL19804308 0.94 ALOX5AP (0.40) LTB4RLTB4R2ALOX5APFEN1SLC6A9
SCHEMBL19804477 0.93 ALOX5AP (0.41) LTB4RLTB4R2ALOX5APFEN1SLC6A9
SCHEMBL19804344 0.91 ALOX5AP (0.39) LTB4RLTB4R2ALOX5APFEN1SLC6A9
SCHEMBL19804473 0.91 PDE4A (0.39) LTB4RLTB4R2SLC6A9EGFRPDE4A
SCHEMBL19804337 0.90 RARB (0.39) LTB4RLTB4R2SLC6A9EGFRPDE4A
SCHEMBL19804494 0.90 RARB (0.41) LTB4RLTB4R2SLC6A9EGFRPDE4A
SCHEMBL19804449 0.89 PTGS1 (0.36) ALOX5APFEN1SLC6A9PDE4APGR
SCHEMBL19804222 0.89 CTSA (0.35) LTB4RLTB4R2ALOX5APFEN1PRKAB2
SCHEMBL19804341 0.89 PTGS1 (0.36) ALOX5APFEN1SLC6A9EGFRPDE4A

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 LTB4R 2415/4885LTB4R2 2159/4885ALOX5AP 2507/4885

“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.