SCHEMBL10302986

SCHEMBL10302986

CCCC(O)c1ccc(/C=C/C2CCC(c3ccc(O)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 4/20 0.32
▸ PDE4A P27815 2/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ MAOB P27338 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ GRIN1 Q05586 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
SCHEMBL12994383 0.89 PDE4A (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL10302974 0.88 PDE4D (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL10303356 0.85 PDE4A (0.37) GRIN2BPDE4APDE4BPDE4CPDE4D
SCHEMBL12823679 0.85 — —
SCHEMBL12823038 0.85 — —
SCHEMBL10302976 0.84 ADRA2A (0.32) —
SCHEMBL12822879 0.83 ESR1 (0.30) —
SCHEMBL10302977 0.82 PDE4A (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL10302987 0.82 PDE4A (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL12821244 0.81 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 GRIN2B 2702/4885PDE4A 3506/4885PDE4B 3277/4885

“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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