SCHEMBL4183492

SCHEMBL4183492

CCCCCCCCN(CCCCCCCC)NC([O])=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
CA2 P00918 1/20 0.43
DNM1 Q05193 4/20 0.42
EPHX1 P07099 4/20 0.41
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
HSP90AA1 P07900 1/20 0.40
KDM5A P29375 3/20 0.40
PHF8 Q9UPP1 3/20 0.40
KDM4C Q9H3R0 2/20 0.40
GPR84 Q9NQS5 2/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39

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
SCHEMBL27678347 0.82 GPR84 (0.44) CA12CA1CA9CA2DNM1
SCHEMBL27678349 0.82 GPR84 (0.44) CA12CA1CA9CA2DNM1
SCHEMBL4183494 0.82 GPR84 (0.44) CA12CA1CA9CA2DNM1
SCHEMBL29191579 0.80 CA12 (0.42) CA12CA1CA9CA2DNM1
SCHEMBL29255920 0.78 HSP90AA1 (0.57) DNM1CES2CES1HSP90AA1GPR84
SCHEMBL29255877 0.78 HSP90AA1 (0.57) DNM1CES2CES1HSP90AA1GPR84
SCHEMBL28750661 0.77 CA12 (0.40) CA12CA1CA9CA2DNM1
SCHEMBL20149663 0.72 DNM1 (0.60) DNM1HSP90AA1KDM5APHF8KDM4C
SCHEMBL17105834 0.72 HSP90AA1 (0.55) DNM1CES2CES1HSP90AA1GPR84
SCHEMBL2860849 0.71 CA12 (0.48) CA12CA1CA9CA2DNM1

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
CN-101218214-B Liquid crystal compound, liquid crystal composition, thin film, and liquid crystal display FUJI PHOTO FILM CO LTD 2011-08-24 CN disclosed
US-20090054658-A1 Liquid Crystal Compound, Liquid Crystal Composition, Thin Film and Liquid Crystal Display FUJIFILM CORPORATION (JP) 2009-02-26 US disclosed
CN-101218214-A Liquid crystal compound, liquid crystal composition, thin film, and liquid crystal display FUJIFILM CORP (JP) 2008-07-09 CN disclosed
WO-2007011003-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, THIN FILM AND LIQUID CRYSTAL DISPLAY FUJIFILM CORPORATION (JP) 2007-01-25 WO 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-20090054658-A1 Liquid Crystal Compound, Liquid Crystal Composition, Thin Film and Liquid Crystal Display NR0B1, NR0B2, NAP1L1 CA12 1641/4885CA1 1477/4885CA9 1349/4885

“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.