SCHEMBL19801985

SCHEMBL19801985

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccccc3)cc2F)ccc1CCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.35
PGR P06401 1/20 0.35
PDE4A P27815 1/20 0.35
SLC6A9 P48067 1/20 0.35
DHODH Q02127 5/20 0.34
S1PR1 P21453 1/20 0.34
BDKRB1 P46663 1/20 0.34
MEN1 O00255 2/20 0.33
PTGS2 P35354 2/20 0.33
KMT2A Q03164 2/20 0.33
FABP2 P12104 1/20 0.33
TSHR P16473 1/20 0.33
AKR1C4 P17516 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33

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
SCHEMBL19804040 0.92 PTGS1 (0.37) PTGS1PGRPDE4ASLC6A9DHODH
SCHEMBL19804341 0.90 PTGS1 (0.36) PTGS1PGRPDE4ASLC6A9DHODH
SCHEMBL19804380 0.90 PTGS1 (0.38) PTGS1PGRPDE4ASLC6A9DHODH
SCHEMBL19804370 0.89 PTGS1 (0.39) PTGS1PGRPDE4ASLC6A9DHODH
SCHEMBL19804049 0.88 PTGS1 (0.37) PTGS1PGRPDE4ASLC6A9MEN1
SCHEMBL19796698 0.87 RARB (0.45) S1PR1MEN1KMT2ATSHRTHRB
SCHEMBL19804449 0.86 PTGS1 (0.36) PTGS1PGRPDE4ASLC6A9DHODH
SCHEMBL19804378 0.86 PTGS1 (0.36) PTGS1PGRPDE4ASLC6A9DHODH
SCHEMBL19804223 0.85 PTGS1 (0.36) PTGS1PGRPDE4ASLC6A9DHODH
SCHEMBL19804398 0.84 ALOX5AP (0.42) PTGS1PGRPDE4ASLC6A9

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.