SCHEMBL19804487

SCHEMBL19804487

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccccc3)c(C)c2)ccc1OCCO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.39
EGFR P00533 1/20 0.37
ESR1 P03372 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
RARA P10276 2/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
PPARD Q03181 3/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
SLC2A1 P11166 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MCHR1 Q99705 1/20 0.35
DGAT1 O75907 1/20 0.35
FFAR1 O14842 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 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
SCHEMBL19804490 0.94 MTNR1B (0.38) SLC6A9ESR1PDE4APDE4BPDE4C
SCHEMBL19804369 0.91 SLC6A9 (0.44) SLC6A9EGFRESR1PDE4APDE4B
SCHEMBL19804140 0.91 SLC6A9 (0.44) SLC6A9EGFRESR1PDE4APDE4B
SCHEMBL21115767 0.91 RARA (0.38) RARARARBRARGPPARDPPARG
SCHEMBL19804326 0.89 SLC6A9 (0.40) SLC6A9EGFRESR1RARARARB
SCHEMBL19697386 0.89 RARA (0.44) SLC6A9EGFRESR1RARARARB
SCHEMBL19804068 0.89 ALOX5AP (0.41) SLC6A9EGFRPDE4ARARARARB
SCHEMBL19804413 0.88 SLC6A9 (0.41) SLC6A9EGFRPDE4APDE4BPDE4C
SCHEMBL19804044 0.87 SLC2A1 (0.37) EGFRSLC2A1DGAT1PPARGPPARA
SCHEMBL19804077 0.87 SLC6A9 (0.41) SLC6A9EGFRESR1PDE4APDE4B

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 3426/4885ESR1 481/4885

“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.