SCHEMBL19804228

SCHEMBL19804228

C=C(C)C(=O)OCCOc1cc(-c2ccc(C)cc2CC)ccc1CCCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
LTB4R Q15722 6/20 0.35
LTB4R2 Q9NPC1 4/20 0.35
RARA P10276 2/20 0.34
RARB P10826 2/20 0.34
RARG P13631 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR2 P34972 2/20 0.33
CNR1 P21554 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
THRB P10828 1/20 0.33
TSHR P16473 3/20 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
SCHEMBL19804129 0.91 CA1 (0.35) L3MBTL1MAPK1CA1CA2LTB4R
SCHEMBL19804222 0.89 CTSA (0.35) L3MBTL1MAPK1CA1CA2LTB4R
SCHEMBL19804494 0.88 RARB (0.41) LTB4RLTB4R2RARARARBRARG
SCHEMBL19796264 0.88 LTB4R (0.40) LTB4RLTB4R2RARARARBRARG
SCHEMBL19804126 0.88 CA1 (0.36) L3MBTL1MAPK1CA1CA2RARA
SCHEMBL19796608 0.85 CNR2 (0.38) RARARARBRARGCNR2CNR1
SCHEMBL19804067 0.85 FFAR1 (0.35) L3MBTL1MAPK1CA1CA2RARB
SCHEMBL19796952 0.84 CA1 (0.35) CA1CA2RARBLMNAPOLB
SCHEMBL19804074 0.84 L3MBTL1 (0.39) L3MBTL1MAPK1CA1CA2LTB4R
SCHEMBL19804320 0.84 PTGER4 (0.39) CA1CA2LTB4RLTB4R2ALDH1A1

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 L3MBTL1 783/4885MAPK1 687/4885CA1 489/4885

“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.