SCHEMBL19804161

SCHEMBL19804161

C=C(C)C(=O)OCCOc1cc(CCCO)ccc1-c1ccc(-c2ccccc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.39
EGFR P00533 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
RARB P10826 4/20 0.36
RARA P10276 2/20 0.35
RARG P13631 1/20 0.35
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL19804168 0.94 SLC6A9 (0.40) SLC6A9EGFRPDE4ARARBRARA
SCHEMBL19804606 0.91 SLC6A9 (0.40) SLC6A9EGFRPDE4APDE4BPDE4C
SCHEMBL19796807 0.91 RARB (0.45) RARBRARARARGALDH1A1SMN1; SMN2
SCHEMBL19804728 0.90 RARB (0.37) SLC6A9EGFRPDE4APDE4BPDE4C
SCHEMBL19804627 0.88 EGFR (0.45) SLC6A9EGFRPDE4APDE4BPDE4C
SCHEMBL19796798 0.87 RARB (0.45) RARBRARARARGALDH1A1SMN1; SMN2
SCHEMBL19804289 0.86 GRM2 (0.36) RARBPOLBAPEX1HTTTDP1
SCHEMBL19796352 0.86 RARB (0.36) RARBPOLBAPEX1HTTTDP1
SCHEMBL19804736 0.86 FFAR4 (0.42) SLC6A9RARBRARACA1CA2
SCHEMBL19804347 0.85 LTB4R (0.39) SLC6A9EGFRPDE4APDE4BPDE4C

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 SLC6A9 2938/4885EGFR 3426/4885PDE4A 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.