SCHEMBL10303254

SCHEMBL10303254

CCCC(O)c1ccc(COC2CCC(c3ccc(O)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.35
▸ PDE4A P27815 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ GRIN2B Q13224 8/20 0.34
▸ GRIN1 Q05586 5/20 0.34
▸ NAAA Q02083 2/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ ADRB2 P07550 1/20 0.31

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
SCHEMBL10303327 0.89 NAAA (0.39) PDE4DPDE4APDE4BPDE4CNAAA
SCHEMBL13654077 0.89 PDE4D (0.37) PDE4DPDE4APDE4BPDE4CNAAA
SCHEMBL12823044 0.86 PDE4A (0.30) PDE4DPDE4APDE4BPDE4C
SCHEMBL12823491 0.86 PDE4A (0.30) PDE4DPDE4APDE4BPDE4C
SCHEMBL10303356 0.85 PDE4A (0.37) PDE4DPDE4APDE4BPDE4CGRIN2B
SCHEMBL12823180 0.85 ESR1 (0.33) PDE4DPDE4APDE4BPDE4CGRIN2B
SCHEMBL12223987 0.84 ADRA2A (0.32) ADRB2
SCHEMBL10303351 0.84 ADRA2A (0.32) ADRB2
SCHEMBL10303078 0.83 GRIN2B (0.34) PDE4DPDE4APDE4BPDE4CGRIN2B
SCHEMBL10303380 0.83 PDE4D (0.35) PDE4DPDE4APDE4BPDE4CNAAA

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 PDE4D 2892/4885PDE4A 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.

Send feedback