SCHEMBL19804100

SCHEMBL19804100

C=C(C)C(=O)OCCCc1cc(CO)ccc1-c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
FFAR4 Q5NUL3 6/20 0.38
FFAR1 O14842 5/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
BACE1 P56817 1/20 0.33
PPARG P37231 1/20 0.32
SYK P43405 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RARB P10826 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
SCHEMBL19624352 0.93 CA1 (0.39) CA1CA2FFAR4FFAR1POLB
SCHEMBL19804123 0.92 CA1 (0.38) CA1CA2FFAR4FFAR1POLB
SCHEMBL19804150 0.91 CA1 (0.39) CA1CA2FFAR4FFAR1POLB
SCHEMBL19796323 0.90 TSHR (0.42) POLBAPEX1HTTTDP1TSHR
SCHEMBL19804015 0.89 TSHR (0.38) CA1CA2POLBAPEX1HTT
SCHEMBL19804169 0.86 CA1 (0.37) CA1CA2FFAR4FFAR1POLB
SCHEMBL19804000 0.85 FFAR4 (0.42) CA1CA2FFAR4FFAR1KDM4E
SCHEMBL19804182 0.85 CA1 (0.39) CA1CA2FFAR4FFAR1POLB
SCHEMBL19804175 0.83 POLB (0.36) CA1CA2POLBAPEX1HTT
SCHEMBL19796409 0.83 TSHR (0.42) POLBAPEX1HTTTDP1TSHR

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 CA1 489/4885CA2 2120/4885FFAR4 1715/4885

“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.