SCHEMBL19804774

SCHEMBL19804774

C=C(C)C(=O)OCc1cc(-c2ccc(-c3ccccc3)cc2F)ccc1-c1ccc(CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.40
PGR P06401 1/20 0.40
PDE4A P27815 1/20 0.40
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 3/20 0.39
S1PR1 P21453 3/20 0.38
S1PR3 Q99500 1/20 0.37
FEN1 P39748 1/20 0.37
MEN1 O00255 2/20 0.36
PTGS2 P35354 2/20 0.36
KMT2A Q03164 2/20 0.36
FABP2 P12104 1/20 0.36
TSHR P16473 1/20 0.36
AKR1C4 P17516 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL19804659 1.00 PTGS1 (0.40) PTGS1PGRPDE4AFFAR1FFAR4
SCHEMBL19801626 0.92 BAZ2B (0.39) PTGS1FFAR1FFAR4BACE1
SCHEMBL19804580 0.92 BAZ2B (0.39) PTGS1FFAR1FFAR4BACE1
SCHEMBL19804824 0.92 FFAR1 (0.38) PTGS1PGRPDE4AFFAR1FFAR4
SCHEMBL19804528 0.91 PTGS1 (0.38) PTGS1PGRPDE4AFFAR1FFAR4
SCHEMBL19804620 0.89 PTGS1 (0.39) PTGS1PGRPDE4AFFAR1S1PR1
SCHEMBL19804029 0.89 PTGS1 (0.39) PTGS1PGRPDE4AFFAR1S1PR1
SCHEMBL19624577 0.88 FFAR4 (0.39) PTGS1PGRPDE4AFFAR1FFAR4
SCHEMBL19804522 0.88 FFAR1 (0.41) PTGS1PGRPDE4AFFAR1FFAR4
SCHEMBL19804702 0.87 S1PR1 (0.38) FFAR1FFAR4S1PR1S1PR3MEN1

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 PTGS1 4342/4885PGR 2255/4885PDE4A 2412/4885

“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.