SCHEMBL19796987

SCHEMBL19796987

C=C(C)C(=O)OCCOc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)c(F)c2)ccc1CO

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.36
CYP3A4 P08684 3/20 0.36
FFAR4 Q5NUL3 4/20 0.35
APP P05067 2/20 0.33
RARB P10826 3/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
PPARD Q03181 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
RARA P10276 1/20 0.32
TSHR P16473 2/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 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
SCHEMBL19796526 0.95 CYP3A4 (0.35) CYP2C9CYP3A4FFAR4APPRARB
SCHEMBL19796996 0.93 CYP2C9 (0.35) CYP2C9CYP3A4FFAR4APPRARB
SCHEMBL19007881 0.93 CNR2 (0.35) CYP2C9FFAR4CNR1CNR2TSHR
SCHEMBL19797002 0.93 CYP3A4 (0.35) CYP2C9CYP3A4FFAR4APPRARB
SCHEMBL19797020 0.92 CNR2 (0.35) CYP2C9CYP3A4FFAR4APPRARB
SCHEMBL19797013 0.91 CYP2C9 (0.37) CYP2C9CYP3A4FFAR4APPRARB
SCHEMBL19796983 0.91 FFAR4 (0.34) CYP2C9FFAR4RARBCNR1CNR2
SCHEMBL19796990 0.90 CNR2 (0.34) CYP2C9FFAR4CNR1CNR2TSHR
SCHEMBL19796587 0.90 CYP3A4 (0.34) CYP2C9CYP3A4FFAR4APPRARB
SCHEMBL19797032 0.90 CYP2C9 (0.37) CYP2C9CYP3A4FFAR4APPRARB

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 CYP2C9 4202/4885CYP3A4 2192/4885FFAR4 1715/4885

“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.