SCHEMBL19804285

SCHEMBL19804285

C=C(C)C(=O)OCCOc1cc(-c2ccc(-c3ccccc3)cc2)ccc1CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.40
EGFR P00533 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL19804473 0.93 PDE4A (0.39) SLC6A9EGFRPDE4APDE4BPDE4C
SCHEMBL19804454 0.92 RARA (0.39) SLC6A9EGFRPDE4APDE4BPDE4C
SCHEMBL19804288 0.92 EGFR (0.38) SLC6A9EGFRPDE4APDE4BPDE4C
SCHEMBL19804037 0.92 SLC6A9 (0.41) SLC6A9EGFRPDE4APDE4BPDE4C
SCHEMBL19804308 0.91 ALOX5AP (0.40) SLC6A9EGFRPDE4ALTB4RLTB4R2
SCHEMBL19803962 0.91 CA1 (0.39) SLC6A9PDE4APDE4BPDE4CPDE4D
SCHEMBL19804448 0.90 SLC6A9 (0.41) SLC6A9EGFRPDE4APDE4BPDE4C
SCHEMBL19804521 0.88 PDE4A (0.45) SLC6A9EGFRPDE4APDE4BPDE4C
SCHEMBL19796249 0.87 MCL1 (0.38) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL19804442 0.87 PDE4A (0.43) SLC6A9PDE4APDE4BPDE4CPDE4D

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.