SCHEMBL19804382

SCHEMBL19804382

C=C(C)C(=O)OCc1cc(-c2ccc(OCCO)cc2)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DHODH Q02127 1/20 0.39
FFAR1 O14842 3/20 0.37
FFAR4 Q5NUL3 3/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
GAA P10253 1/20 0.36
MAOB P27338 1/20 0.36
PTGER4 P35408 5/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1I2 O75469 1/20 0.35

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
SCHEMBL22030376 0.92 POLB (0.38) POLBAPEX1HTTTDP1DHODH
SCHEMBL19796464 0.85 POLB (0.42) POLBAPEX1HTTTDP1DHODH
SCHEMBL19804681 0.85 POLB (0.44) POLBAPEX1HTTTDP1FFAR1
SCHEMBL19804604 0.85 POLB (0.44) POLBAPEX1HTTTDP1FFAR1
SCHEMBL19804307 0.84 CYP4F2 (0.40) FFAR1PPARAPTGER4MEN1KMT2A
SCHEMBL19804224 0.84 PTGER4 (0.40) PTGER4MEN1KMT2A
SCHEMBL19804385 0.82 POLB (0.42) POLBAPEX1HTTTDP1DHODH
SCHEMBL19804204 0.82 CYP4A11 (0.38) PPARAMEN1KMT2A
SCHEMBL19804173 0.82 TDP1 (0.43) POLBAPEX1HTTTDP1DHODH
SCHEMBL19804205 0.82 TDP1 (0.46) POLBAPEX1HTTTDP1DHODH

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 POLB 3105/4885APEX1 1385/4885HTT 4544/4885

“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.