SCHEMBL12823116

SCHEMBL12823116

CCCC(O)c1ccc(-c2ccc(C3CCC(OCc4ccc(O)c(F)c4)CC3)c(F)c2F)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 6/20 0.32
▸ GRIN1 Q05586 2/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ PDE4A P27815 2/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ NAAA Q02083 1/20 0.31
▸ CYP17A1 P05093 1/20 0.30

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
SCHEMBL12718709 0.89 PDE4A (0.33) ALOX5APFEN1PDE4APDE4BPDE4C
SCHEMBL12823748 0.86 GRIN2B (0.33) GRIN2BCYP17A1
SCHEMBL12823044 0.85 PDE4A (0.30) PDE4APDE4BPDE4CPDE4D
SCHEMBL12823491 0.85 PDE4A (0.30) PDE4APDE4BPDE4CPDE4D
SCHEMBL12823180 0.85 ESR1 (0.33) GRIN2BGRIN1PDE4APDE4BPDE4C
SCHEMBL12823649 0.84 SERPINE1 (0.34) GRIN2BGRIN1ALOX5APFEN1PDE4A
SCHEMBL12719334 0.84 GABRA1 (0.33) ALOX5APFEN1PDE4APDE4BPDE4C
SCHEMBL12719343 0.84 GABRA1 (0.33) ALOX5APFEN1PDE4APDE4BPDE4C
SCHEMBL12823012 0.83 DRD4 (0.32) ALOX5APFEN1
SCHEMBL10303332 0.82 SIGMAR1 (0.32) —

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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 GRIN2B 1871/4885GRIN1 1597/4885ALOX5AP 1673/4885

“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.

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