SCHEMBL19804164

SCHEMBL19804164

C=C(C)C(=O)OCCc1cc(-c2ccc(C)cc2)ccc1OCC(CO)CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
HDAC3 O15379 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
VDR P11473 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SYK P43405 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
SRD5A2 P31213 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CTSA P10619 1/20 0.31
TSHR P16473 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
SCHEMBL19796274 0.89 GABRA1 (0.37) HDAC3HDAC6VDRTHRBALDH1A1
SCHEMBL19804141 0.88 CA1 (0.39) CA1CA2L3MBTL1MAPK1POLB
SCHEMBL19984731 0.85 RARA (0.35) CA1CA2L3MBTL1MAPK1SYK
SCHEMBL21115587 0.85 PPARD (0.33) CA1CA2L3MBTL1MAPK1SYK
SCHEMBL19804431 0.85 SLC6A9 (0.35) CA1CA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL19624678 0.84 CA1 (0.36) CA1CA2L3MBTL1MAPK1POLB
SCHEMBL19804196 0.82 CA1 (0.41) CA1CA2POLBAPEX1HTT
SCHEMBL22173825 0.82 RARB (0.35) L3MBTL1MAPK1HTTTHRBALDH1A1
SCHEMBL21115767 0.81 RARA (0.38) CA1CA2L3MBTL1MAPK1SYK
SCHEMBL22030370 0.80 POLB (0.36) CA1CA2L3MBTL1MAPK1POLB

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 2120/4885HDAC3 3249/4885

“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.