SCHEMBL19624587

SCHEMBL19624587

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc4cc(CC/C=C/C)ccc4c3)cc2)ccc1OCCO

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.34
FFAR4 Q5NUL3 2/20 0.32
GHSR Q92847 2/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
MAOA P21397 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
SCHEMBL19796668 0.88 RARA (0.37) ESR1RARARARBRARGTP53
SCHEMBL19624673 0.85 HTT (0.41) ESR1RARARARBRARGPOLB
SCHEMBL19624601 0.84 ESR1 (0.35) ESR1FFAR4MTNR1AMTNR1BRARA
SCHEMBL19797143 0.84 HTT (0.41) ESR1POLBHTTTDP1KDM4E
SCHEMBL19804829 0.83 ESR1 (0.40) ESR1GHSRMTNR1AMTNR1BRARA
SCHEMBL19624678 0.83 CA1 (0.36) ESR1FFAR4MTNR1AMTNR1BRARA
SCHEMBL19804077 0.83 SLC6A9 (0.41) ESR1MTNR1AMTNR1BRARARARB
SCHEMBL19624426 0.83 GAA (0.34) ESR1MTNR1AMTNR1BRARARARB
SCHEMBL19804819 0.82 ESR1 (0.39) ESR1GHSRMTNR1AMTNR1BRARA
SCHEMBL19624536 0.82 MAPK1 (0.39) RARARARBRARGHTTNPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3656757-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2020-05-27 EP disclosed
US-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 US disclosed
US-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 US disclosed
EP-3246305-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-11-22 EP 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 ESR1 481/4885FFAR4 1715/4885GHSR 3579/4885

“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.