SCHEMBL13066965

SCHEMBL13066965

CCCC1CCC(COc2ccc(-c3ccc(CO)cc3)c(C(F)F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.39
EP300 Q09472 2/20 0.34
IKBKE Q14164 2/20 0.34
TBK1 Q9UHD2 2/20 0.34
PDE4D Q08499 5/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
RORC P51449 1/20 0.31
APP P05067 1/20 0.31
S1PR1 P21453 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
CNR2 P34972 1/20 0.31
RIPK1 Q13546 1/20 0.30
S1PR3 Q99500 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
SCHEMBL13025813 0.87 PDE4D (0.38) VEGFAPDE4DPDE4APDE4BPDE4C
SCHEMBL13066967 0.85 VEGFA (0.36) VEGFAPDE4DPDE4APDE4BPDE4C
SCHEMBL13025994 0.85 VEGFA (0.35) VEGFAPDE4DPDE4APDE4BFFAR4
SCHEMBL13025726 0.84 FFAR4 (0.41) VEGFAS1PR1FFAR4S1PR3
SCHEMBL13025951 0.83 FFAR4 (0.40) VEGFAS1PR1FFAR4S1PR3
SCHEMBL13025732 0.82 VEGFA (0.39) VEGFAPDE4DPDE4APDE4BPDE4C
SCHEMBL13025958 0.81 FFAR4 (0.39) VEGFAS1PR1FFAR4S1PR3
SCHEMBL13025735 0.81 FFAR4 (0.37) VEGFAS1PR1FFAR4S1PR3
SCHEMBL1510004 0.80 CYP2C9 (0.39) VEGFAAPPFFAR4
SCHEMBL13025632 0.79 VEGFA (0.41) VEGFAPDE4DPDE4APDE4BPDE4C

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-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 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-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device CCND2, YBX1, CNKSR1 VEGFA 1939/4885EP300 2550/4885IKBKE 554/4885

“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.