SCHEMBL19804641

SCHEMBL19804641

C=C(C)C(=O)OCCc1cc(OCCO)ccc1C1CCC(C2CCCCC2)CC1

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
PTGDR2 Q9Y5Y4 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
KEAP1 Q14145 1/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
ABL1 P00519 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 3/20 0.31
CSF1R P07333 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
PPARA Q07869 1/20 0.31
CAMKK1 Q8N5S9 1/20 0.31
CAMKK2 Q96RR4 1/20 0.31
NAAA Q02083 1/20 0.31

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
SCHEMBL19804190 0.89 POLB (0.39) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL19796814 0.86 CNR2 (0.35) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL19804597 0.86 CA1 (0.33) CA1CA2MEN1KMT2A
SCHEMBL19796355 0.85 POLB (0.36) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL19804556 0.85 CA1 (0.33) POLBAPEX1HTTTDP1CA1
SCHEMBL19804613 0.84 CA1 (0.35) POLBAPEX1HTTTDP1CA1
SCHEMBL19804291 0.83 POLB (0.42) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL19804483 0.83 FFAR4 (0.40) POLBAPEX1HTTTDP1CA1
SCHEMBL19804634 0.80 FFAR4 (0.44) POLBAPEX1HTTTDP1CA1
SCHEMBL19804491 0.80 PPARG (0.37) CA1CA2PPARGCSF1RPPARA

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.