Sugi Predict

Sugi Predict / Compounds / SCHEMBL8954472

SCHEMBL8954472

SCHEMBL8954472

C=CCOc1ccc(-c2ccc(-c3ccc(C4COC(CC)OC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 11/20 0.35
▸ HTR2B P41595 6/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ FPR2 P25090 4/20 0.34
▸ HTR2A P28223 7/20 0.33
▸ ADRB2 P07550 2/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ CHRM5 P08912 2/20 0.32
▸ ADRA2A P08913 2/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ ADRA2B P18089 2/20 0.32
▸ ADRA2C P18825 2/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ HRH2 P25021 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ HTR7 P34969 2/20 0.32
▸ DRD3 P35462 2/20 0.32

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
SCHEMBL8953239 0.92 HTR2C (0.34) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL8953523 0.90 HTR2C (0.32) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL8954378 0.89 HTR2C (0.32) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL8953584 0.89 PDE4A (0.32) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL8953868 0.89 HTR2C (0.34) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL8954206 0.87 PDE4A (0.32) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL8954039 0.87 HTR2C (0.34) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL8957376 0.86 HTR2C (0.35) HTR2CHTR2BFPR2HTR2AADRB2
SCHEMBL8954341 0.85 FPR2 (0.35) FPR2KDM1A
SCHEMBL8944833 0.85 HTR2C (0.36) HTR2CHTR2BPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 — — US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 — — US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 — — US disclosed
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 — — EP 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 HTR2C 447/4885HTR2B 1261/4885PDE4A 1397/4885

“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.