SCHEMBL19797002

SCHEMBL19797002

C=C(C)C(=O)OCCOc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2F)ccc1CCCO

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CNR2 P34972 7/20 0.34
CNR1 P21554 6/20 0.34
FFAR4 Q5NUL3 3/20 0.34
PPARD Q03181 2/20 0.32
RARB P10826 2/20 0.32
RARA P10276 1/20 0.32
APP P05067 2/20 0.31
P2RY14 Q15391 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL19797020 0.99 CNR2 (0.35) CYP3A4CYP2C9CNR2CNR1FFAR4
SCHEMBL19796996 0.96 CYP2C9 (0.35) CYP3A4CYP2C9CNR2CNR1FFAR4
SCHEMBL19796610 0.95 CNR2 (0.34) CYP3A4CYP2C9CNR2CNR1FFAR4
SCHEMBL19797004 0.93 CNR2 (0.33) CYP3A4CYP2C9CNR2CNR1FFAR4
SCHEMBL19796609 0.93 CNR2 (0.38) CYP2C9CNR2CNR1
SCHEMBL19797003 0.93 CNR2 (0.34) CYP2C9CNR2CNR1FFAR4RARB
SCHEMBL19796987 0.93 CYP2C9 (0.36) CYP3A4CYP2C9CNR2CNR1FFAR4
SCHEMBL19797074 0.92 FFAR4 (0.32) CYP3A4CYP2C9CNR2CNR1FFAR4
SCHEMBL19796587 0.92 CYP3A4 (0.34) CYP3A4CYP2C9CNR2CNR1FFAR4
SCHEMBL19797005 0.92 CYP2C9 (0.37) CYP3A4CYP2C9FFAR4RARBRARA

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 CYP3A4 2192/4885CYP2C9 4202/4885CNR2 1075/4885

“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.