SCHEMBL19796560

SCHEMBL19796560

C=C(C)C(=O)OCCOc1cc(-c2ccc(-c3ccc(CCCCC)cc3)cc2C)ccc1CCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.45
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
RARA P10276 3/20 0.36
RARG P13631 2/20 0.36
TSHR P16473 2/20 0.36
PPARD Q03181 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MTOR P42345 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
SCHEMBL19796606 0.96 RARB (0.45) RARBTHRATHRBPDE4APDE4B
SCHEMBL19796565 0.95 RARB (0.44) RARBTHRATHRBCNR1CNR2
SCHEMBL19796523 0.94 RARB (0.46) RARBTHRATHRBPDE4APDE4B
SCHEMBL19796551 0.93 THRA (0.42) RARBTHRATHRBPDE4APDE4B
SCHEMBL19796561 0.92 RARB (0.37) RARBTHRATHRBCNR1CNR2
SCHEMBL19796607 0.91 RARB (0.43) RARBTHRATHRBCNR1CNR2
SCHEMBL19796645 0.91 RARB (0.47) RARBTHRATHRBPDE4APDE4B
SCHEMBL19796564 0.90 RARB (0.46) RARBTHRATHRBCNR1CNR2
SCHEMBL19796522 0.89 RARB (0.44) RARBTHRATHRBRARARARG
SCHEMBL19796553 0.88 RARB (0.46) RARBTHRATHRBRARARARG

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 RARB 3517/4885THRA 4376/4885THRB 4323/4885

“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.