SCHEMBL19804069

SCHEMBL19804069

C=C(C)C(=O)OCCc1cc(-c2ccc(C3CCCCC3)cc2)ccc1OCCO

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.39
ESR1 P03372 1/20 0.37
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PPARG P37231 5/20 0.35
MCHR1 Q99705 3/20 0.35
PPARA Q07869 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CSF1R P07333 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
PPARD Q03181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
APP P05067 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL19804495 0.94 SLC6A9 (0.38) SLC6A9ESR1PTGDRPTGDR2PPARG
SCHEMBL19804742 0.93 S1PR1 (0.37) SLC6A9ESR1PPARGMCHR1FFAR4
SCHEMBL19804817 0.92 PPARG (0.37) SLC6A9ESR1PPARGPPARAFFAR4
SCHEMBL19804061 0.91 SLC6A9 (0.40) SLC6A9ESR1PTGDRPTGDR2PPARG
SCHEMBL19624690 0.90 MCHR1 (0.35) SLC6A9ESR1MCHR1FFAR4CSF1R
SCHEMBL19804498 0.90 SLC6A9 (0.40) SLC6A9PTGDRPTGDR2PPARGMCHR1
SCHEMBL19804431 0.90 SLC6A9 (0.35) SLC6A9ESR1PTGDRPTGDR2PPARG
SCHEMBL19804351 0.89 PPARG (0.38) SLC6A9ESR1PPARGPPARAFFAR4
SCHEMBL19804513 0.89 MMP2 (0.38) SLC6A9PPARGPPARAFFAR4CA1
SCHEMBL19796666 0.89 CA1 (0.34) SLC6A9ESR1MCHR1CSF1RCA1

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 2938/4885ESR1 481/4885PTGDR 2446/4885

“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.