SCHEMBL19804375

SCHEMBL19804375

C=C(C)C(=O)OCCOc1cc(-c2ccc(-c3ccccc3C)cc2)ccc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.41
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MCL1 Q07820 4/20 0.38
PPARG P37231 2/20 0.35
MCHR1 Q99705 1/20 0.35
PPARA Q07869 1/20 0.34
EGFR P00533 1/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
CDC7 O00311 1/20 0.33
MARK3 P27448 1/20 0.33
AXL P30530 1/20 0.33
FRK P42685 1/20 0.33
BLK P51451 1/20 0.33
NEK4 P51957 1/20 0.33
PRKCD Q05655 1/20 0.33
MAP4K2 Q12851 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
SCHEMBL19804448 0.93 SLC6A9 (0.41) SLC6A9MCL1PPARGMCHR1PPARA
SCHEMBL19804328 0.91 EGFR (0.39) SLC6A9PDCD1CD274MCL1PPARG
SCHEMBL19804481 0.91 SLC6A9 (0.39) SLC6A9MCL1PPARGMCHR1PPARA
SCHEMBL19804037 0.90 SLC6A9 (0.41) SLC6A9PDCD1CD274EGFRPDE4A
SCHEMBL19804383 0.88 SLC6A9 (0.44) SLC6A9MCL1PPARGMCHR1PPARA
SCHEMBL19804199 0.88 CA1 (0.39) PDCD1CD274MCL1PDE4APDE4B
SCHEMBL19624428 0.85 PDCD1 (0.37) PDCD1CD274POLBAPEX1HTT
SCHEMBL19804377 0.84 EGFR (0.39) SLC6A9PDCD1CD274EGFRPDE4A
SCHEMBL19804288 0.83 EGFR (0.38) SLC6A9PPARGPPARAEGFRPDE4A
SCHEMBL19804344 0.83 ALOX5AP (0.39) SLC6A9PDCD1CD274EGFRPDE4A

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 SLC6A9 2938/4885PDCD1 624/4885CD274 511/4885

“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.