SCHEMBL19804271

SCHEMBL19804271

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
EGFR P00533 2/20 0.46
SLC6A9 P48067 2/20 0.40
HTT P42858 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 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
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ADRB2 P07550 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
SCHEMBL19801723 0.88 THRB (0.60) THRBEGFRSLC6A9HTTUSP2
SCHEMBL19796892 0.85 THRB (0.50) THRBKMT2APDE4APDE4BPDE4C
SCHEMBL19804371 0.84 THRB (0.44) THRBHTTKMT2AFFAR1FFAR4
SCHEMBL19804560 0.84 THRB (0.56) THRBEGFRSLC6A9HTTUSP2
SCHEMBL19804253 0.84 EGFR (0.47) EGFRSLC6A9HTTPDE4APDE4B
SCHEMBL19796433 0.83 THRB (0.46) THRBFFAR4ALDH1A1SMN1; SMN2
SCHEMBL19804130 0.83 FFAR4 (0.44) THRBHTTGAACYP11B1CYP11B2
SCHEMBL19796378 0.82 THRB (0.48) THRBCYP11B1CYP11B2FFAR4ALDH1A1
SCHEMBL29613033 0.82 THRB (0.63) THRBHTTUSP2GAAKMT2A
SCHEMBL534826 0.82 THRB (0.63) THRBHTTUSP2GAAKMT2A

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 THRB 4323/4885EGFR 3426/4885SLC6A9 2938/4885

“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.