SCHEMBL19796418

SCHEMBL19796418

C=C(C)C(=O)OCCc1cc(CCC)ccc1-c1ccc(OCCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PTPN11 Q06124 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACACB O00763 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
SLC5A1 P13866 1/20 0.36

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
SCHEMBL19796417 0.94 POLB (0.46) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL19796431 0.93 POLB (0.37) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL19796416 0.91 ALDH1A1 (0.42) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL19796332 0.90 THRB (0.38) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL19796411 0.90 THRB (0.38) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL19796947 0.89 MEN1 (0.43) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL19804340 0.89 POLB (0.47) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL19796419 0.89 THRB (0.38) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL19796423 0.88 TSHR (0.38) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL19796356 0.88 POLB (0.38) POLBAPEX1HTTTDP1ALDH1A1

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 2 patents. 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
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.