SCHEMBL19804479

SCHEMBL19804479

C=CC(=O)OCCCc1cc(-c2ccc(C3CCC(C4CCCCC4)CC3)cc2)ccc1OCCO

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.35
FFAR4 Q5NUL3 2/20 0.33
ESR1 P03372 1/20 0.33
TSHR P16473 2/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
PTGDR Q13258 1/20 0.32
THRB P10828 1/20 0.32
PPARG P37231 6/20 0.32
MCHR1 Q99705 2/20 0.32
PPARA Q07869 2/20 0.32
CSF1R P07333 1/20 0.31
PPARD Q03181 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 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
SCHEMBL19804466 0.94 SLC6A9 (0.38) SLC6A9FFAR4ESR1TSHRPTGDR2
SCHEMBL19804778 0.89 FFAR4 (0.34) FFAR4TSHRTHRBALDH1A1CYP3A4
SCHEMBL19804504 0.88 SLC6A9 (0.39) SLC6A9FFAR4ESR1TSHRPTGDR2
SCHEMBL19797045 0.87 PTPN11 (0.34) SLC6A9ESR1TSHRTHRBPPARG
SCHEMBL19804740 0.87 CYP3A4 (0.41) SLC6A9FFAR4ESR1PTGDR2PTGDR
SCHEMBL19804503 0.84 SLC6A9 (0.39) SLC6A9FFAR4ESR1TSHRPTGDR2
SCHEMBL19796746 0.84 PTPN11 (0.36) SLC6A9ESR1TSHRTHRBPPARG
SCHEMBL19801619 0.83 SLC6A9 (0.38) SLC6A9FFAR4ESR1PTGDR2PTGDR
SCHEMBL19804765 0.83 FFAR4 (0.36) FFAR4TSHRTHRBPPARGMCHR1
SCHEMBL19804543 0.82 FFAR4 (0.38) FFAR4TSHRPTGDR2PTGDRTHRB

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 SLC6A9 2938/4885FFAR4 1715/4885ESR1 481/4885

“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.