SCHEMBL19796797

SCHEMBL19796797

C=C(C)C(=O)OCCOc1cc(CCO)ccc1-c1ccc(-c2ccc(CCCCC)cc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.47
TSHR P16473 2/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
ACE2 Q9BYF1 2/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
MEN1 O00255 2/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL19796957 0.90 RARB (0.43) RARBTSHRTHRATHRBACE2
SCHEMBL19796565 0.89 RARB (0.44) RARBTSHRTHRATHRBMEN1
SCHEMBL19796646 0.89 RARB (0.45) RARBTSHRTHRATHRBMEN1
SCHEMBL19796940 0.88 RARB (0.48) RARBTSHRTHRATHRBPPARG
SCHEMBL19796342 0.87 THRB (0.35) RARBTSHRTHRBMEN1MAPK1
SCHEMBL19796422 0.87 CYP11B1 (0.37) TSHRTHRBALDH1A1SMN1; SMN2HTT
SCHEMBL19796341 0.87 CYP11B1 (0.37) TSHRTHRBALDH1A1SMN1; SMN2HTT
SCHEMBL19796959 0.86 RARB (0.47) RARBTSHRTHRATHRBPPARG
SCHEMBL19796607 0.86 RARB (0.43) RARBTSHRTHRATHRBMEN1
SCHEMBL19804608 0.86 CYP11B1 (0.37) PPARGPPARAALDH1A1S1PR1

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 RARB 3517/4885TSHR 4195/4885THRA 4376/4885

“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.