SCHEMBL19804199

SCHEMBL19804199

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
SYK P43405 1/20 0.33
JAK3 P52333 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
TSHR P16473 3/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32

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
SCHEMBL19803962 0.92 CA1 (0.39) CA1CA2POLBAPEX1HTT
SCHEMBL19804381 0.91 FFAR4 (0.35) CA1CA2POLBAPEX1HTT
SCHEMBL19804037 0.90 SLC6A9 (0.41) POLBAPEX1HTTTDP1THRB
SCHEMBL19804375 0.88 SLC6A9 (0.41) POLBAPEX1HTTTDP1PDCD1
SCHEMBL19624428 0.88 PDCD1 (0.37) CA1CA2POLBAPEX1HTT
SCHEMBL19796255 0.87 MCL1 (0.39) POLBAPEX1HTTTDP1THRB
SCHEMBL19624496 0.86 CA1 (0.40) CA1CA2POLBAPEX1HTT
SCHEMBL19804137 0.86 CA1 (0.40) CA1CA2POLBAPEX1HTT
SCHEMBL19624593 0.86 CTSA (0.36) CA1CA2POLBAPEX1HTT
SCHEMBL19804196 0.85 CA1 (0.41) CA1CA2POLBAPEX1HTT

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 CA1 489/4885CA2 2120/4885POLB 3105/4885

“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.