SCHEMBL19804147

SCHEMBL19804147

C=C(C)C(=O)OCCc1cc(OCCO)ccc1-c1ccc(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
FFAR1 O14842 4/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
PTGER1 P34995 2/20 0.33
PTGER4 P35408 2/20 0.33
PTGER3 P43115 2/20 0.33
PTGER2 P43116 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
THRB P10828 1/20 0.33
FFAR4 Q5NUL3 3/20 0.32
DHODH Q02127 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 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
SCHEMBL19803993 0.89 POLB (0.39) TDP1POLBAPEX1HTTFFAR1
SCHEMBL19796424 0.88 POLB (0.45) TDP1POLBAPEX1HTTFFAR1
SCHEMBL19796356 0.88 POLB (0.38) TDP1POLBAPEX1HTTFFAR1
SCHEMBL19804018 0.87 POLB (0.39) TDP1POLBAPEX1HTTFFAR1
SCHEMBL19804197 0.86 POLB (0.36) TDP1POLBAPEX1HTTFFAR1
SCHEMBL19804186 0.85 TDP1 (0.40) TDP1POLBAPEX1HTTFFAR1
SCHEMBL19804127 0.83 POLB (0.42) TDP1POLBAPEX1HTTFFAR1
SCHEMBL19804095 0.83 CA1 (0.36) TDP1POLBAPEX1HTTFFAR1
SCHEMBL19804136 0.83 CA1 (0.37) TDP1POLBAPEX1HTTFFAR1
SCHEMBL19804340 0.82 POLB (0.47) TDP1POLBAPEX1HTTFFAR1

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 TDP1 1951/4885POLB 3105/4885APEX1 1385/4885

“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.