SCHEMBL19804192

SCHEMBL19804192

C=C(C)C(=O)OCCOc1cc(CO)ccc1-c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 4/20 0.41
ALOX5AP P20292 2/20 0.41
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CYP11B1 P15538 4/20 0.39
CYP11B2 P19099 4/20 0.39
CTSA P10619 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
ALDH1A1 P00352 3/20 0.37
PGR P06401 1/20 0.37
PTGS1 P23219 1/20 0.37
PDE4A P27815 1/20 0.37
EGFR P00533 1/20 0.36
BACE1 P56817 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RARB P10826 1/20 0.36

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
SCHEMBL19804606 0.93 SLC6A9 (0.40) FEN1ALOX5APCYP4F2CYP4A11CYP11B1
SCHEMBL19801616 0.91 FEN1 (0.49) FEN1ALOX5APFFAR4ALDH1A1KDM4E
SCHEMBL19796787 0.88 RARB (0.49) FEN1ALOX5APCYP4F2CYP4A11FFAR4
SCHEMBL19796941 0.86 RARB (0.47) FEN1ALOX5APCYP4F2CYP4A11ALDH1A1
SCHEMBL19804253 0.86 EGFR (0.47) CYP11B1CYP11B2ALDH1A1PDE4AEGFR
SCHEMBL19804168 0.86 SLC6A9 (0.40) FEN1ALOX5APCYP11B1CYP11B2FFAR4
SCHEMBL19804349 0.86 FEN1 (0.51) FEN1ALOX5APCYP11B1CYP11B2FFAR4
SCHEMBL19804344 0.85 ALOX5AP (0.39) FEN1ALOX5APALDH1A1PGRPTGS1
SCHEMBL19804161 0.84 SLC6A9 (0.39) FEN1ALOX5APCYP11B1CYP11B2ALDH1A1
SCHEMBL19803992 0.84 FFAR4 (0.44) CYP4F2CYP4A11CYP11B1CYP11B2CTSA

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 FEN1 2669/4885ALOX5AP 2507/4885CYP4F2 2577/4885

“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.