SCHEMBL19804253

SCHEMBL19804253

C=C(C)C(=O)OCCOc1cc(-c2ccccc2)ccc1-c1ccc(CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.47
SLC6A9 P48067 2/20 0.41
CYP11B1 P15538 8/20 0.41
CYP11B2 P19099 8/20 0.41
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37

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
SCHEMBL19804627 0.90 EGFR (0.45) EGFRSLC6A9CYP11B1CYP11B2PDE4A
SCHEMBL19804611 0.88 EGFR (0.46) EGFRSLC6A9CYP11B1CYP11B2ALDH1A1
SCHEMBL19804606 0.87 SLC6A9 (0.40) EGFRSLC6A9CYP11B1CYP11B2PDE4A
SCHEMBL19796866 0.87 THRB (0.42) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL19804192 0.86 FEN1 (0.41) EGFRCYP11B1CYP11B2PDE4AALDH1A1
SCHEMBL19804171 0.86 FFAR4 (0.42) CYP11B1CYP11B2KDM4ESMN1; SMN2POLB
SCHEMBL19801965 0.86 EGFR (0.47) EGFRSLC6A9HTTBAZ2BBAZ2A
SCHEMBL19796420 0.85 THRB (0.38) CYP11B1CYP11B2ALDH1A1SMN1; SMN2POLB
SCHEMBL19804617 0.85 EGFR (0.38) EGFRSLC6A9ALDH1A1POLBAPEX1
SCHEMBL19801688 0.85 EGFR (0.38) EGFRSLC6A9ALDH1A1POLBAPEX1

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 EGFR 3426/4885SLC6A9 2938/4885CYP11B1 4354/4885

“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.