SCHEMBL19804604

SCHEMBL19804604

C=C(C)C(=O)OCc1cc(-c2ccccc2)ccc1-c1ccc(OCCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FFAR4 Q5NUL3 6/20 0.43
FFAR1 O14842 5/20 0.43
GAA P10253 1/20 0.42
HDAC3 O15379 5/20 0.41
HDAC4 P56524 5/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC7 Q8WUI4 5/20 0.41
HDAC2 Q92769 5/20 0.41
HDAC10 Q969S8 5/20 0.41
HDAC11 Q96DB2 5/20 0.41
HDAC8 Q9BY41 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC9 Q9UKV0 5/20 0.41
HDAC5 Q9UQL6 5/20 0.41
PTGER4 P35408 3/20 0.41
PTGER3 P43115 1/20 0.41

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
SCHEMBL19804681 1.00 POLB (0.44) POLBAPEX1HTTTDP1FFAR4
SCHEMBL19804563 0.88 PPARG (0.40) POLBAPEX1HTTTDP1FFAR4
SCHEMBL19803292 0.87 FFAR1 (0.39) POLBAPEX1HTTTDP1FFAR4
SCHEMBL19804561 0.87 FFAR4 (0.42) POLBAPEX1HTTTDP1FFAR4
SCHEMBL19804173 0.86 TDP1 (0.43) POLBAPEX1HTTTDP1FFAR4
SCHEMBL19804668 0.85 FFAR1 (0.42) FFAR4FFAR1PTGER4PTGER3
SCHEMBL19804366 0.85 RARB (0.45)
SCHEMBL19804382 0.85 POLB (0.44) POLBAPEX1HTTTDP1FFAR4
SCHEMBL19804580 0.85 BAZ2B (0.39) FFAR4FFAR1PTGER4PTGER3GSTP1
SCHEMBL19801626 0.85 BAZ2B (0.39) FFAR4FFAR1PTGER4PTGER3GSTP1

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.