SCHEMBL19797110

SCHEMBL19797110

C=C(C)C(=O)OCCc1cc(-c2ccc(CCCO)cc2)ccc1-c1ccc(C2CCC(CCCCC)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.38
SPHK1 Q9NYA1 11/20 0.38
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 2/20 0.33
SPHK2 Q9NRA0 5/20 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
SCHEMBL19797080 1.00 FFAR4 (0.38) FFAR4SPHK1DGAT1SOAT1CYP2C9
SCHEMBL19796805 0.95 FFAR4 (0.38) FFAR4SPHK1DGAT1SOAT1CYP2C9
SCHEMBL19797084 0.93 FFAR4 (0.44) FFAR4SPHK1CYP2C9SPHK2
SCHEMBL19796791 0.91 FFAR4 (0.36) FFAR4SPHK1DGAT1SOAT1CYP2C9
SCHEMBL19796870 0.91 FFAR4 (0.36) FFAR4SPHK1DGAT1SOAT1CYP2C9
SCHEMBL19797114 0.90 RAB9A (0.39) FFAR4DGAT1SOAT1CYP2C9TSHR
SCHEMBL19797111 0.90 SPHK1 (0.38) FFAR4SPHK1CYP2C9TSHRSPHK2
SCHEMBL19797085 0.90 SPHK1 (0.38) FFAR4SPHK1CYP2C9TSHRSPHK2
SCHEMBL19796586 0.90 TSHR (0.35) SPHK1DGAT1SOAT1CYP2C9TSHR
SCHEMBL19796785 0.90 FFAR4 (0.37) FFAR4SPHK1DGAT1SOAT1CYP2C9

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 FFAR4 1715/4885SPHK1 608/4885DGAT1 2685/4885

“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.