SCHEMBL19797019

SCHEMBL19797019

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3F)cc2CC)ccc1OCCO

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.37
FFAR4 Q5NUL3 3/20 0.32
PPARA Q07869 4/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
PPARG P37231 2/20 0.31
FASN P49327 1/20 0.31
RARB P10826 1/20 0.31
APP P05067 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
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
SCHEMBL19796632 0.95 PPARG (0.33) PPARDFFAR4PPARAPPARGRARB
SCHEMBL19796639 0.94 PPARD (0.38) PPARDFFAR4PPARACYP3A4CYP2C9
SCHEMBL19797011 0.93 PPARD (0.37) PPARDFFAR4PPARACYP3A4CYP2C9
SCHEMBL21097862 0.93 PPARD (0.34) PPARDFFAR4
SCHEMBL20171741 0.93 PPARG (0.32) PPARDFFAR4PPARAPPARGRARB
SCHEMBL17070423 0.92 PPARD (0.33) PPARDFFAR4PPARAPPARGCNR1
SCHEMBL21115841 0.92 PPARD (0.33) PPARDFFAR4CYP3A4CYP2C9
SCHEMBL21115989 0.92 PPARD (0.33) PPARDFFAR4
SCHEMBL21231945 0.91 PPARD (0.33) PPARD
SCHEMBL21231962 0.91 PPARD (0.33) PPARDFFAR4

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 PPARD 3071/4885FFAR4 1715/4885PPARA 3672/4885

“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.