SCHEMBL19804714

SCHEMBL19804714

C=C(C)C(=O)OCCCc1cc(-c2ccc(C3CCC(C4CCCCC4)CC3)cc2)ccc1CCCO

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
FFAR4 Q5NUL3 2/20 0.33
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
APP P05067 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30
TSHR P16473 2/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL19804342 0.94 CA1 (0.37) CA1CA2FFAR4POLBAPEX1
SCHEMBL19804050 0.92 CA1 (0.37) CA1CA2FFAR4POLBAPEX1
SCHEMBL19804393 0.91 CA1 (0.37) CA1CA2FFAR4POLBAPEX1
SCHEMBL19804277 0.91 FFAR4 (0.37) CA1CA2FFAR4POLBAPEX1
SCHEMBL19804459 0.89 CA1 (0.37) CA1CA2FFAR4POLBAPEX1
SCHEMBL19804313 0.89 CA1 (0.35) CA1CA2FFAR4POLBAPEX1
SCHEMBL19797001 0.88 TSHR (0.35) CA1CA2CYP2C9TSHRCNR1
SCHEMBL19804353 0.88 FFAR4 (0.37) CA1CA2FFAR4POLBAPEX1
SCHEMBL19804358 0.85 CA1 (0.35) CA1CA2FFAR4POLBAPEX1
SCHEMBL19804048 0.85 FFAR4 (0.41) CA1CA2FFAR4HTTTDP1

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 CA1 489/4885CA2 2120/4885FFAR4 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.