SCHEMBL19804140

SCHEMBL19804140

C=C(C)C(=O)OCCc1cc(-c2ccccc2)ccc1OCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.44
ESR1 P03372 1/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
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
TARBP2 Q15633 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
SCHEMBL19804369 1.00 SLC6A9 (0.44) SLC6A9ESR1RARARARBRARG
SCHEMBL19804077 0.96 SLC6A9 (0.41) SLC6A9ESR1RARARARBRARG
SCHEMBL19804515 0.93 SLC6A9 (0.43) SLC6A9ESR1RARARARBRARG
SCHEMBL19697386 0.93 RARA (0.44) SLC6A9ESR1RARARARBRARG
SCHEMBL19804487 0.91 SLC6A9 (0.39) SLC6A9ESR1RARARARBRARG
SCHEMBL19804829 0.91 ESR1 (0.40) SLC6A9ESR1RARARARBRARG
SCHEMBL19804398 0.91 ALOX5AP (0.42) SLC6A9ESR1RARARARBRARG
SCHEMBL19804141 0.91 CA1 (0.39) SLC6A9ESR1RARARARBRARG
SCHEMBL19804068 0.90 ALOX5AP (0.41) SLC6A9RARARARBRARGMEN1
SCHEMBL19804360 0.90 RARB (0.41) SLC6A9ESR1RARARARBRARG

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 2938/4885ESR1 481/4885RARA 3585/4885

“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.