SCHEMBL13025632

SCHEMBL13025632

CCCC1CCC(COc2ccc(C)c(C(F)F)c2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.41
RIPK1 Q13546 1/20 0.35
PDE4B Q07343 8/20 0.35
PDE4A P27815 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
ACACB O00763 2/20 0.32
PDE10A Q9Y233 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CNR2 P34972 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
SCHEMBL13025861 0.96 VEGFA (0.39) VEGFARIPK1PDE4BPDE4APDE4C
SCHEMBL16983528 0.87 VEGFA (0.41) VEGFARIPK1PDE4BPDE4APDE4C
SCHEMBL17357023 0.85 RIPK1 (0.39) RIPK1PDE4BPDE4APDE4CPDE4D
SCHEMBL13025899 0.85 FFAR1 (0.38)
SCHEMBL13671443 0.84 VEGFA (0.42) VEGFARIPK1PDE4BPDE4APDE4C
SCHEMBL13025732 0.83 VEGFA (0.39) VEGFARIPK1PDE4BPDE4APDE4C
SCHEMBL13026008 0.82 FFAR1 (0.37)
SCHEMBL13025889 0.82 CYP2C9 (0.39) VEGFA
SCHEMBL16871478 0.82 RIPK1 (0.37) RIPK1PDE4BPDE4APDE4CPDE4D
SCHEMBL26277357 0.82 RIPK1 (0.37) RIPK1PDE4BPDE4APDE4CPDE4D

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-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
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
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 1939/4885RIPK1 1174/4885PDE4B 2206/4885

“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.