SCHEMBL19804606

SCHEMBL19804606

C=C(C)C(=O)OCCOc1cc(CO)ccc1-c1ccc(-c2ccccc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
EGFR P00533 2/20 0.38
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PDE4A P27815 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PGR P06401 1/20 0.34
PTGS1 P23219 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
BACE1 P56817 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
SCHEMBL19804168 0.93 SLC6A9 (0.40) SLC6A9EGFRCYP11B1CYP11B2RARA
SCHEMBL19804192 0.93 FEN1 (0.41) CYP4F2CYP4A11EGFRCYP11B1CYP11B2
SCHEMBL19804161 0.91 SLC6A9 (0.39) SLC6A9EGFRCYP11B1CYP11B2RARA
SCHEMBL19796788 0.89 RARB (0.46) CYP4F2CYP4A11RARARARBALDH1A1
SCHEMBL19804253 0.87 EGFR (0.47) SLC6A9EGFRCYP11B1CYP11B2PDE4A
SCHEMBL19804189 0.87 S1PR1 (0.36) SLC6A9CYP4F2CYP4A11EGFRRARA
SCHEMBL19804102 0.85 CYP4F2 (0.41) CYP4F2CYP4A11EGFRFFAR4
SCHEMBL19796328 0.85 CYP4F2 (0.41) CYP4F2CYP4A11RARBALDH1A1
SCHEMBL19804344 0.84 ALOX5AP (0.39) SLC6A9EGFRPDE4AALDH1A1ALOX5AP
SCHEMBL19801616 0.84 FEN1 (0.49) FFAR4ALDH1A1ALOX5APFEN1

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 2938/4885CYP4F2 2577/4885CYP4A11 1991/4885

“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.