SCHEMBL19796977

SCHEMBL19796977

C=C(C)C(=O)OCCOc1cc(CCCCC)c(COC(=O)C(=C)C)cc1-c1ccc(-c2ccc(OCCO)cc2)c(CC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
CNR2 P34972 9/20 0.35
CNR1 P21554 3/20 0.35
PTPN11 Q06124 2/20 0.35
TSHR P16473 2/20 0.34
RARA P10276 1/20 0.33

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
SCHEMBL19796480 0.88 POLB (0.41) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL19796933 0.85 MEN1 (0.47) POLBAPEX1HTTTDP1MEN1
SCHEMBL19796818 0.85 MEN1 (0.44) POLBAPEX1HTTTDP1MEN1
SCHEMBL19804391 0.83 RARA (0.39) POLBAPEX1HTTTDP1CNR2
SCHEMBL22540474 0.81 POLB (0.39) POLBAPEX1HTTTDP1CNR2
SCHEMBL19796947 0.81 MEN1 (0.43) POLBAPEX1HTTTDP1MEN1
SCHEMBL19796919 0.81 MEN1 (0.47) POLBAPEX1HTTTDP1MEN1
SCHEMBL19796875 0.81 MEN1 (0.47) POLBAPEX1HTTTDP1MEN1
SCHEMBL19804385 0.80 POLB (0.42) POLBAPEX1HTTTDP1RARB
SCHEMBL19796616 0.80 RARB (0.39) MEN1USP2ALDH1A1LMNACYP3A4

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.