SCHEMBL19797015

SCHEMBL19797015

C=C(C)C(=O)OCCOc1cc(-c2ccc(C3CCC(C4CCC(CCCCC)CC4)CC3)cc2F)ccc1OCCO

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PPARD Q03181 2/20 0.33
FPR2 P25090 1/20 0.32
FASN P49327 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
RARB P10826 1/20 0.32
PPARG P37231 5/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
TSHR P16473 3/20 0.31
RAB9A P51151 1/20 0.31
APP P05067 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
PPARA Q07869 1/20 0.30
CSF1R P07333 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
SCHEMBL19796647 0.98 CYP3A4 (0.35) CYP3A4CYP2C9PPARDFPR2FASN
SCHEMBL19797013 0.93 CYP2C9 (0.37) CYP3A4CYP2C9PPARDFPR2FFAR4
SCHEMBL19797004 0.92 CNR2 (0.33) CYP3A4CYP2C9PPARDFASNFFAR4
SCHEMBL19796653 0.91 CYP2C9 (0.36) CYP3A4CYP2C9PPARDFPR2FASN
SCHEMBL19796652 0.91 PDE4A (0.37) CYP2C9FPR2PPARGTSHRRAB9A
SCHEMBL19796587 0.90 CYP3A4 (0.34) CYP3A4CYP2C9PPARDFASNFFAR4
SCHEMBL19796610 0.89 CNR2 (0.34) CYP3A4CYP2C9PPARDFASNFFAR4
SCHEMBL19796639 0.89 PPARD (0.38) CYP3A4CYP2C9PPARDFASNFFAR4
SCHEMBL19796526 0.89 CYP3A4 (0.35) CYP3A4CYP2C9PPARDFASNFFAR4
SCHEMBL19796648 0.89 FPR2 (0.34) FPR2FFAR4PPARGTSHRRAB9A

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 4202/4885PPARD 3071/4885

“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.