SCHEMBL19804602

SCHEMBL19804602

C=C(C)C(=O)OCCc1cc(-c2ccccc2)ccc1-c1ccc2cc(OCCO)c(COC(=O)C(=C)C)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.35
SLC6A9 P48067 5/20 0.34
PTGER4 P35408 3/20 0.34
RARA P10276 2/20 0.34
RARB P10826 2/20 0.34
RARG P13631 2/20 0.34
PTGER3 P43115 2/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BCL2L11 O43521 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
BAK1 Q16611 1/20 0.32
MAP4K4 O95819 1/20 0.32
TYK2 P29597 1/20 0.32
MINK1 Q8N4C8 1/20 0.32

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
SCHEMBL19797154 0.88 RARB (0.34) RARARARBRARG
SCHEMBL19804591 0.88 SLC6A9 (0.36) SLC6A9PTGER4RARARARBRARG
SCHEMBL19804779 0.87 SLC6A9 (0.38) EGFRSLC6A9PTGER4RARARARB
SCHEMBL19804077 0.85 SLC6A9 (0.41) EGFRSLC6A9PTGER4RARARARB
SCHEMBL19624483 0.84 KDM4E (0.34) PTGER4RARARARBRARGPTGER3
SCHEMBL19804366 0.83 RARB (0.45) EGFRSLC6A9RARARARBRARG
SCHEMBL19697386 0.82 RARA (0.44) EGFRSLC6A9RARARARBRARG
SCHEMBL19804801 0.81 RARA (0.38) RARARARBRARGMTNR1AMTNR1B
SCHEMBL19804500 0.81 SLC6A9 (0.45) EGFRSLC6A9RARARARBRARG
SCHEMBL19804239 0.81 LTB4R (0.41) RARARARBRARG

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 2938/4885PTGER4 2215/4885

“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.