SCHEMBL19796587

SCHEMBL19796587

C=C(C)C(=O)OCCOc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2F)ccc1CCO

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CNR2 P34972 7/20 0.33
CNR1 P21554 6/20 0.33
FFAR4 Q5NUL3 3/20 0.33
PPARD Q03181 2/20 0.33
FASN P49327 1/20 0.32
RARB P10826 1/20 0.32
TSHR P16473 2/20 0.31
APP P05067 1/20 0.31
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 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
SCHEMBL19796610 0.96 CNR2 (0.34) CYP3A4CYP2C9CNR2CNR1FFAR4
SCHEMBL19796996 0.95 CYP2C9 (0.35) CYP3A4CYP2C9CNR2CNR1FFAR4
SCHEMBL19796526 0.95 CYP3A4 (0.35) CYP3A4CYP2C9CNR2CNR1FFAR4
SCHEMBL19797004 0.94 CNR2 (0.33) CYP3A4CYP2C9CNR2CNR1FFAR4
SCHEMBL19796647 0.92 CYP3A4 (0.35) CYP3A4CYP2C9FFAR4PPARDFASN
SCHEMBL19796562 0.92 CNR2 (0.34) CYP2C9CNR2CNR1FFAR4TSHR
SCHEMBL19797002 0.92 CYP3A4 (0.35) CYP3A4CYP2C9CNR2CNR1FFAR4
SCHEMBL19797020 0.91 CNR2 (0.35) CYP3A4CYP2C9CNR2CNR1FFAR4
SCHEMBL19797015 0.90 CYP3A4 (0.34) CYP3A4CYP2C9FFAR4PPARDFASN
SCHEMBL19796552 0.90 TSHR (0.33) CYP3A4CYP2C9CNR2CNR1FFAR4

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.