SCHEMBL19804207

SCHEMBL19804207

C=C(C)C(=O)OCCOc1cc(-c2ccc(CO)cc2)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 3/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
THRB P10828 1/20 0.36
ERN1 O75460 1/20 0.36
PTGER4 P35408 1/20 0.36
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C8 P10632 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADRA1A P35348 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
SCHEMBL19187406 0.87 TSHR (0.40) TSHRTDP1POLBAPEX1HTT
SCHEMBL19804205 0.87 TDP1 (0.46) TSHRTDP1POLBAPEX1HTT
SCHEMBL19804253 0.85 EGFR (0.47) TDP1POLBAPEX1HTTPDE4A
SCHEMBL19796459 0.85 LTB4R (0.39) TSHRTDP1POLBAPEX1HTT
SCHEMBL19804025 0.84 THRB (0.40) TSHRTDP1POLBAPEX1HTT
SCHEMBL22030374 0.82 RARB (0.39) TSHRTDP1POLBAPEX1HTT
SCHEMBL19804171 0.82 FFAR4 (0.42) TSHRTDP1POLBAPEX1HTT
SCHEMBL19796866 0.81 THRB (0.42) TSHRTHRBPDE4APDE4BPDE4C
SCHEMBL19804199 0.81 CA1 (0.39) TSHRTDP1POLBAPEX1HTT
SCHEMBL19804586 0.80 SLC6A9 (0.41) PPARGCA1CA2

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 TSHR 4195/4885TDP1 1951/4885POLB 3105/4885

“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.