SCHEMBL19804609

SCHEMBL19804609

C=C(C)C(=O)OCCc1cc(CCCO)ccc1-c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.39
PTGS1 P23219 4/20 0.36
PGR P06401 1/20 0.36
PDE4A P27815 1/20 0.36
FFAR4 Q5NUL3 3/20 0.35
FFAR1 O14842 2/20 0.35
PTGS2 P35354 3/20 0.35
FAAH O00519 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
FABP2 P12104 1/20 0.34
TSHR P16473 1/20 0.34
AKR1C4 P17516 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2C P28335 1/20 0.34
DRD3 P35462 1/20 0.34
AKR1C3 P42330 1/20 0.34

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
SCHEMBL19796803 0.90 RARB (0.49) RARBPTGS2FAAHMEN1KMT2A
SCHEMBL19804616 0.87 S1PR1 (0.35) RARBPTGS1PGRPDE4AFFAR4
SCHEMBL19804559 0.87 MGLL (0.37) PDE4AFFAR4FFAR1FAAHCA1
SCHEMBL19804341 0.86 PTGS1 (0.36) RARBPTGS1PGRPDE4APTGS2
SCHEMBL19804049 0.86 PTGS1 (0.37) RARBPTGS1PGRPDE4AFFAR4
SCHEMBL19804575 0.85 THRB (0.39) RARBFFAR4FFAR1PTGS2FAAH
SCHEMBL19804522 0.85 FFAR1 (0.41) RARBPTGS1PGRPDE4AFFAR4
SCHEMBL19804189 0.84 S1PR1 (0.36) RARBPTGS1PGRPDE4AFFAR4
SCHEMBL19804536 0.83 RARB (0.39) RARBFFAR1PTGS2FAAHCA1
SCHEMBL19796423 0.83 TSHR (0.38) RARBTSHR

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 3517/4885PTGS1 4342/4885PGR 2255/4885

“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.