SCHEMBL19804535

SCHEMBL19804535

C=CC(=O)OCCOc1cc(-c2ccc(-c3ccccc3)cc2F)ccc1CO

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
FEN1 P39748 4/20 0.39
ALOX5AP P20292 3/20 0.39
SLC6A9 P48067 2/20 0.37
EGFR P00533 2/20 0.36
USP2 O75604 1/20 0.36
METTL3 Q86U44 2/20 0.36
METTL14 Q9HCE5 2/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
BACE1 P56817 2/20 0.34
HTT P42858 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
SCHEMBL19803225 0.93 THRB (0.44) THRBFEN1ALOX5APSLC6A9EGFR
SCHEMBL19804605 0.89 THRB (0.43) THRBFEN1ALOX5APSLC6A9METTL3
SCHEMBL19804419 0.88 THRB (0.45) THRBSLC6A9EGFRLTB4RLTB4R2
SCHEMBL19804096 0.87 CTSA (0.38) THRBFEN1ALOX5APLTB4RLTB4R2
SCHEMBL19796721 0.86 RARB (0.47) THRB
SCHEMBL19804480 0.86 THRB (0.40) THRBFEN1ALOX5APSLC6A9FFAR1
SCHEMBL19804546 0.85 ALOX5AP (0.43) THRBFEN1ALOX5APSLC6A9EGFR
SCHEMBL19804344 0.85 ALOX5AP (0.39) FEN1ALOX5APSLC6A9EGFRLTB4R
SCHEMBL19796287 0.84 THRB (0.39) THRBLTB4RLTB4R2
SCHEMBL19804724 0.84 CYP3A4 (0.46) THRBFEN1ALOX5APSLC6A9FFAR4

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 THRB 4323/4885FEN1 2669/4885ALOX5AP 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.