SCHEMBL19804445

SCHEMBL19804445

C=C(C)C(=O)OCCCc1cc(CCO)ccc1-c1ccc(-c2ccccc2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PPARG P37231 3/20 0.33
PPARA Q07869 2/20 0.33
RARB P10826 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MMP9 P14780 2/20 0.33
MMP14 P50281 2/20 0.33
MMP13 P45452 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
SLC6A9 P48067 1/20 0.32
PTGER4 P35408 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
SLC2A1 P11166 1/20 0.32
MMP1 P03956 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
SCHEMBL19803279 0.95 CA1 (0.36) POLBAPEX1HTTTDP1CA1
SCHEMBL19796796 0.90 RARB (0.44) HTTRARB
SCHEMBL19804622 0.87 POLB (0.43) POLBAPEX1HTTTDP1PPARG
SCHEMBL19796806 0.86 RARB (0.44) HTTRARB
SCHEMBL19804300 0.85 POLB (0.35) POLBAPEX1HTTTDP1CA1
SCHEMBL19804411 0.85 POLB (0.37) POLBAPEX1HTTTDP1CA1
SCHEMBL19804538 0.85 S1PR1 (0.37) PPARGPPARAMMP2MMP3MMP9
SCHEMBL19804123 0.84 CA1 (0.38) POLBAPEX1HTTTDP1CA1
SCHEMBL19804175 0.84 POLB (0.36) POLBAPEX1HTTTDP1CA1
SCHEMBL19796824 0.84 RARB (0.47) PPARGPPARARARB

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.