SCHEMBL19796360

SCHEMBL19796360

C=C(C)C(=O)OCCOc1cc(OCCO)ccc1C1CCC(CCC)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARD Q03181 6/20 0.34
CNR2 P34972 3/20 0.34
CNR1 P21554 2/20 0.34
CYP2C9 P11712 1/20 0.33
PPARA Q07869 6/20 0.33
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 1/20 0.32
FKBP1A P62942 1/20 0.32
SCN9A Q15858 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
SCHEMBL19796355 0.89 POLB (0.36) POLBAPEX1HTTTDP1EDNRB
SCHEMBL19804296 0.88 POLB (0.39) POLBAPEX1HTTTDP1EDNRB
SCHEMBL19796920 0.87 POLB (0.37) POLBAPEX1HTTTDP1PTGES
SCHEMBL19796358 0.87 POLB (0.40) POLBAPEX1HTTTDP1EDNRB
SCHEMBL19796272 0.82 CYP2C9 (0.41) CYP2C9PPARARAB9AALDH1A1LMNA
SCHEMBL19797134 0.82 POLB (0.36) POLBAPEX1HTTTDP1PTGES
SCHEMBL19796819 0.82 RAB9A (0.39) POLBAPEX1HTTTDP1PTGES
SCHEMBL19624417 0.82 POLB (0.39) POLBAPEX1HTTTDP1RAB9A
SCHEMBL19804670 0.80 SLC6A9 (0.41) POLBAPEX1HTTTDP1PPARD
SCHEMBL19796814 0.80 CNR2 (0.35) POLBAPEX1HTTTDP1PTGES

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.