SCHEMBL19797113

SCHEMBL19797113

C=C(C)C(=O)OCCOc1cc(-c2ccc(C3CCC(CCCCC)CC3)cc2)cc(OCCOC(=O)C(=C)C)c1-c1ccc(CCCO)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.37
FFAR4 Q5NUL3 1/20 0.33
CYP2C9 P11712 1/20 0.32
TSHR P16473 2/20 0.32
SPHK2 Q9NRA0 7/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL19796931 0.94 SPHK1 (0.35) SPHK1TSHRCA1CA2
SCHEMBL19007873 0.94 ACE2 (0.35) SPHK1CYP2C9TSHRCA1CA2
SCHEMBL19797085 0.93 SPHK1 (0.38) SPHK1FFAR4CYP2C9TSHRSPHK2
SCHEMBL19797111 0.93 SPHK1 (0.38) SPHK1FFAR4CYP2C9TSHRSPHK2
SCHEMBL19797087 0.90 SPHK1 (0.37) SPHK1FFAR4CYP2C9TSHRSPHK2
SCHEMBL19007871 0.90 CA1 (0.35) SPHK1CYP2C9TSHRCA1CA2
SCHEMBL19796810 0.89 SPHK1 (0.37) SPHK1FFAR4CYP2C9TSHRCA1
SCHEMBL19796609 0.88 CNR2 (0.38) CYP2C9TSHRCA1CA2
SCHEMBL19804782 0.87 FFAR4 (0.40) FFAR4CYP2C9CA1CA2
SCHEMBL19796651 0.87 FPR2 (0.36) CYP2C9TSHRCA1CA2

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 SPHK1 608/4885FFAR4 1715/4885CYP2C9 4202/4885

“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.