SCHEMBL19803286

SCHEMBL19803286

C=C(C)C(=O)OCCOc1cc(OCCO)ccc1-c1ccc(-c2ccccc2)c(CC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
SRD5A2 P31213 1/20 0.39
PDE1A P54750 2/20 0.39
PDE1B Q01064 2/20 0.39
PDE1C Q14123 2/20 0.39
BCL2L11 O43521 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
BAK1 Q16611 1/20 0.38
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
PPARG P37231 4/20 0.37
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 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
SCHEMBL19796818 0.88 MEN1 (0.44) POLBAPEX1HTTTDP1RARB
SCHEMBL19804533 0.87 RARB (0.44) POLBRARARARBRARGEGFR
SCHEMBL19804611 0.86 EGFR (0.46) POLBAPEX1HTTTDP1CYP11B1
SCHEMBL19803285 0.86 CYP11B1 (0.38) POLBAPEX1HTTTDP1CYP11B1
SCHEMBL19697386 0.85 RARA (0.44) BCL2L11BCL2L1MCL1BAK1RARA
SCHEMBL19801710 0.85 POLB (0.42) POLBAPEX1HTTTDP1PPARG
SCHEMBL19803990 0.84 TDP1 (0.43) POLBAPEX1HTTTDP1CYP11B1
SCHEMBL19804239 0.84 LTB4R (0.41) RARARARBRARG
SCHEMBL19804469 0.84 PPARG (0.42) POLBAPEX1HTTTDP1CYP11B1
SCHEMBL19804454 0.84 RARA (0.39) RARARARBRARGEGFR

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.