SCHEMBL19804381

SCHEMBL19804381

C=C(C)C(=O)OCCOc1cc(-c2ccc(-c3ccc(C)cc3)cc2F)ccc1CO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
FFAR1 O14842 2/20 0.34
S1PR1 P21453 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CTSA P10619 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
MAPK1 P28482 1/20 0.31
MAP2K4 P45985 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
MAPKAPK3 Q16644 1/20 0.31
MAPK6 Q16659 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL19624593 0.94 CTSA (0.36) FFAR4PDCD1CD274CA1CA2
SCHEMBL19796669 0.93 ALOX5AP (0.36) FFAR4CA1CA2ALOX5APFEN1
SCHEMBL19804344 0.92 ALOX5AP (0.39) PDCD1CD274ALOX5APFEN1LTB4R
SCHEMBL19804199 0.91 CA1 (0.39) FFAR4PDCD1CD274CA1CA2
SCHEMBL19804327 0.89 FEN1 (0.41) PDCD1CD274ALOX5APFEN1L3MBTL1
SCHEMBL19796520 0.87 RARB (0.47) S1PR1THRBPPARD
SCHEMBL19796664 0.86 RARB (0.48) S1PR1THRBMAPK1
SCHEMBL19624428 0.85 PDCD1 (0.37) PDCD1CD274CA1CA2FFAR1
SCHEMBL19804222 0.85 CTSA (0.35) FFAR4CA1CA2ALOX5APFEN1
SCHEMBL19007869 0.85 RARB (0.37) S1PR1PPARDLTB4RLTB4R2

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 FFAR4 1715/4885PDCD1 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.