SCHEMBL19804682

SCHEMBL19804682

C=CC(=O)OCc1cc(-c2ccc(-c3ccc(C4CCCCC4)cc3)cc2CC)ccc1OCCO

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.38
RARB P10826 4/20 0.38
RARG P13631 4/20 0.38
FFAR4 Q5NUL3 2/20 0.38
SLC6A9 P48067 3/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
APP P05067 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 1/20 0.34
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MCHR1 Q99705 2/20 0.33
CSF1R P07333 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
SCHEMBL19804503 0.93 SLC6A9 (0.39) FFAR4SLC6A9ESR1CYP3A4CYP2C9
SCHEMBL19804680 0.89 FFAR4 (0.39) RARARARBRARGFFAR4SLC6A9
SCHEMBL19797041 0.88 RARA (0.35) RARARARBRARGFFAR4GABRA1
SCHEMBL19804470 0.87 FFAR4 (0.40) RARARARBRARGFFAR4CYP3A4
SCHEMBL19804771 0.86 FFAR4 (0.48) FFAR4ESR1CYP3A4CYP2C9APP
SCHEMBL19804547 0.85 RARA (0.45) RARARARBRARGSLC6A9ESR1
SCHEMBL19804592 0.85 RARB (0.42) RARARARBRARGFFAR4GABRA1
SCHEMBL19804504 0.85 SLC6A9 (0.39) FFAR4SLC6A9ESR1CYP3A4CYP2C9
SCHEMBL19804428 0.85 FFAR4 (0.40) RARARARBRARGFFAR4SLC6A9
SCHEMBL19804726 0.83 FFAR4 (0.41) RARARARBRARGFFAR4SLC6A9

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 RARA 3585/4885RARB 3517/4885RARG 3736/4885

“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.