SCHEMBL19804552

SCHEMBL19804552

C=CC(=O)OCCc1cc(-c2ccc(C3CCCCC3)cc2)ccc1OCC(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
SLC6A9 P48067 3/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ESR1 P03372 1/20 0.34
THRB P10828 1/20 0.33
APP P05067 1/20 0.32
MCHR1 Q99705 2/20 0.32
CSF1R P07333 1/20 0.32
PPARG P37231 5/20 0.31
DHODH Q02127 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 1/20 0.31
PPARA Q07869 2/20 0.30
PPARD Q03181 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
SCHEMBL19804504 0.89 SLC6A9 (0.39) PTGDRPTGDR2SLC6A9FFAR4ESR1
SCHEMBL19804431 0.87 SLC6A9 (0.35) PTGDRPTGDR2SLC6A9FFAR4ESR1
SCHEMBL19796764 0.85 CYP2C9 (0.32) ESR1THRBCSF1RCYP2C9
SCHEMBL19804437 0.84 FFAR4 (0.38) PTGDRPTGDR2FFAR4THRBAPP
SCHEMBL19804466 0.83 SLC6A9 (0.38) PTGDRPTGDR2SLC6A9FFAR4ESR1
SCHEMBL19804503 0.81 SLC6A9 (0.39) PTGDRPTGDR2SLC6A9FFAR4ESR1
SCHEMBL19804485 0.81 FFAR4 (0.37) PTGDRPTGDR2FFAR4THRBAPP
SCHEMBL19804650 0.80 TSHR (0.38) FFAR4THRBAPPCYP3A4CYP2C9
SCHEMBL19804444 0.80 THRB (0.39) PTGDRPTGDR2SLC6A9FFAR4THRB
SCHEMBL19804595 0.79 FFAR4 (0.38) PTGDRPTGDR2FFAR4THRBAPP

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 PTGDR 2446/4885PTGDR2 2110/4885SLC6A9 2938/4885

“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.