SCHEMBL19796871

SCHEMBL19796871

C=C(C)C(=O)OCCOc1cc(C2CCC(CCCCC)CC2)ccc1-c1ccc(CCO)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.35
PPARG P37231 6/20 0.35
PPARA Q07869 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TSHR P16473 2/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
CSF1R P07333 1/20 0.33
CYP2C9 P11712 1/20 0.32
RARB P10826 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
SCHEMBL19796801 0.95 SPHK1 (0.35) SPHK1PPARGPPARAFFAR4TSHR
SCHEMBL19797111 0.91 SPHK1 (0.38) SPHK1FFAR4TSHRCYP2C9
SCHEMBL19797085 0.91 SPHK1 (0.38) SPHK1FFAR4TSHRCYP2C9
SCHEMBL19796810 0.91 SPHK1 (0.37) SPHK1PPARGPPARAFFAR4TSHR
SCHEMBL19797120 0.91 RARB (0.39) SPHK1PPARGPPARAFFAR4CYP2C9
SCHEMBL19796790 0.90 TSHR (0.35) SPHK1PPARGPPARAFFAR4TSHR
SCHEMBL19796870 0.90 FFAR4 (0.36) SPHK1FFAR4TSHRCYP2C9RARB
SCHEMBL19797117 0.89 FFAR4 (0.34) SPHK1PPARGPPARAFFAR4TSHR
SCHEMBL19797078 0.89 FFAR4 (0.34) SPHK1PPARGPPARAFFAR4TSHR
SCHEMBL19796897 0.89 THRB (0.38) SPHK1PPARGPPARAFFAR4TSHR

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 608/4885PPARG 3314/4885PPARA 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.