SCHEMBL12822790

SCHEMBL12822790

CCCC(O)c1ccc(-c2ccc(OCc3ccc(-c4ccc(C5CO5)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ F10 P00742 3/20 0.33
▸ NAAA Q02083 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ FAAH O00519 1/20 0.31
▸ S1PR5 Q9H228 1/20 0.30
▸ FPR2 P25090 1/20 0.30
▸ FFAR1 O14842 1/20 0.30
▸ PPARD Q03181 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
SCHEMBL12717309 0.92 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DFFAR4
SCHEMBL13586363 0.92 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DFFAR4
SCHEMBL13586473 0.88 FFAR1 (0.38) F10FFAR1
SCHEMBL13654000 0.88 PDE4D (0.36) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL12821187 0.87 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DF10
SCHEMBL12823807 0.86 FFAR1 (0.35) F10FFAR4FFAR1
SCHEMBL13586425 0.86 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DFAAH
SCHEMBL12717209 0.86 FFAR4 (0.37) F10NAAAFFAR4FPR2FFAR1
SCHEMBL13586388 0.85 FAAH (0.42) NAAAFFAR4FAAHS1PR5FFAR1
SCHEMBL12822535 0.85 S1PR5 (0.35) PDE4APDE4BPDE4CPDE4DF10

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 PDE4A 3366/4885PDE4B 2984/4885PDE4C 3447/4885

“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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