SCHEMBL19797013

SCHEMBL19797013

C=C(C)C(=O)OCCOc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)c(F)c2)ccc1OCCO

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.37
CYP3A4 P08684 3/20 0.37
APP P05067 2/20 0.33
FPR2 P25090 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
RARB P10826 2/20 0.33
PPARD Q03181 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RARA P10276 1/20 0.33
PPARG P37231 1/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
TSHR P16473 3/20 0.32
S1PR1 P21453 1/20 0.32
MCHR1 Q99705 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL19796647 0.95 CYP3A4 (0.35) CYP2C9CYP3A4APPFPR2FFAR4
SCHEMBL19797015 0.93 CYP3A4 (0.34) CYP2C9CYP3A4APPFPR2FFAR4
SCHEMBL19796651 0.93 FPR2 (0.36) CYP2C9FPR2PPARGDGAT1SOAT1
SCHEMBL19796987 0.91 CYP2C9 (0.36) CYP2C9CYP3A4APPFFAR4RARB
SCHEMBL19797011 0.91 PPARD (0.37) CYP2C9CYP3A4APPFFAR4RARB
SCHEMBL19796996 0.91 CYP2C9 (0.35) CYP2C9CYP3A4APPFFAR4RARB
SCHEMBL19797002 0.90 CYP3A4 (0.35) CYP2C9CYP3A4APPFFAR4RARB
SCHEMBL19797014 0.90 RARA (0.34) CYP2C9FPR2FFAR4RARBPPARD
SCHEMBL19797020 0.90 CNR2 (0.35) CYP2C9CYP3A4APPFFAR4RARB
SCHEMBL21322027 0.90 RARB (0.43) CYP2C9CYP3A4APPFFAR4RARB

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 2192/4885APP 325/4885

“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.