SCHEMBL19797112

SCHEMBL19797112

C=CC(=O)OCCOc1cc(-c2ccc(CCCO)cc2)ccc1-c1ccc(C2CCC(CCCCC)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.38
THRB P10828 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
CYP2C9 P11712 1/20 0.33
SPHK2 Q9NRA0 7/20 0.33

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
SCHEMBL19797126 0.96 THRB (0.39) SPHK1THRBFFAR4PTPN1PTPN6
SCHEMBL19796839 0.95 SPHK1 (0.37) SPHK1THRBFFAR4CYP2C9
SCHEMBL19797101 0.93 THRB (0.37) SPHK1THRBFFAR4
SCHEMBL19796897 0.91 THRB (0.38) SPHK1THRBFFAR4PTPN1PTPN6
SCHEMBL19796835 0.91 SPHK1 (0.36) SPHK1THRBFFAR4PTPN1PTPN6
SCHEMBL19797100 0.90 FFAR4 (0.39) SPHK1THRBFFAR4CYP2C9SPHK2
SCHEMBL19796739 0.90 CNR2 (0.38) THRBPTPN1PTPN6PTPN11CYP2C9
SCHEMBL19796834 0.90 THRB (0.36) SPHK1THRBFFAR4PTPN1PTPN6
SCHEMBL19797111 0.89 SPHK1 (0.38) SPHK1FFAR4PTPN1PTPN6PTPN11
SCHEMBL19797085 0.89 SPHK1 (0.38) SPHK1FFAR4PTPN1PTPN6PTPN11

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 608/4885THRB 4323/4885FFAR4 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.