SCHEMBL19804264

SCHEMBL19804264

C=C(C)C(=O)OCCOc1cc(-c2ccccc2F)c(OCCOC(=O)C(=C)C)cc1CCCO

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.37
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LTB4R Q15722 7/20 0.34
LTB4R2 Q9NPC1 6/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CD274 Q9NZQ7 1/20 0.33
ELANE P08246 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL19804301 0.85 CA1 (0.36) POLBAPEX1HTTTDP1LTB4R
SCHEMBL19804477 0.84 ALOX5AP (0.41) SLC6A9LTB4RLTB4R2KDM4E
SCHEMBL19796396 0.84 RARB (0.39) POLBHTTTDP1KDM4ETHRB
SCHEMBL19804373 0.80 SLC6A9 (0.42) SLC6A9POLBAPEX1HTTTDP1
SCHEMBL19804505 0.79 CYP3A4 (0.39) SLC6A9CA1CA2
SCHEMBL19804318 0.78 SLC6A9 (0.36) SLC6A9POLBAPEX1HTTTDP1
SCHEMBL19804421 0.78 FEN1 (0.43) SLC6A9LTB4RLTB4R2L3MBTL1
SCHEMBL19804347 0.77 LTB4R (0.39) SLC6A9POLBAPEX1HTTTDP1
SCHEMBL19804320 0.77 PTGER4 (0.39) POLBAPEX1HTTTDP1LTB4R
SCHEMBL19804279 0.76 ALOX5AP (0.43) SLC6A9POLBAPEX1HTTTDP1

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 2938/4885POLB 3105/4885APEX1 1385/4885

“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.