SCHEMBL13626379

SCHEMBL13626379

CCOCCCCCCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 1/20 0.35
PLA2G2C Q5R387 1/20 0.33
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL23014837 1.00 CES2 (0.39) CES2CES1ALDH1A1PLA2G2CMEN1
SCHEMBL23014907 1.00 CES2 (0.39) CES2CES1ALDH1A1PLA2G2CMEN1
SCHEMBL23014711 1.00 CES2 (0.39) CES2CES1ALDH1A1PLA2G2CMEN1
SCHEMBL6934400 0.98 CES2 (0.36) CES2CES1ALDH1A1PLA2G2C
SCHEMBL3308331 0.90 ALDH1A1 (0.38) CES2CES1ALDH1A1
SCHEMBL9231602 0.85 CES2 (0.35) CES2CES1MEN1THRBHTT
SCHEMBL6937500 0.84 CES1 (0.52) CES2CES1ALDH1A1PLA2G2CMEN1
SCHEMBL6934665 0.84 CES1 (0.52) CES2CES1ALDH1A1PLA2G2CMEN1
SCHEMBL22268706 0.84 CES1 (0.52) CES2CES1ALDH1A1PLA2G2CMEN1
SCHEMBL18465762 0.84 CES2 (0.47) CES2CES1ALDH1A1PLA2G2CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090274853-A1 DICHROIC DYE COMPOSITION FUJIFILM CORPORATION (JP) 2009-11-05 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-20090274853-A1 DICHROIC DYE COMPOSITION C1S, CDY1; CDY1B, CRY1 CES2 2251/4885CES1 1587/4885ALDH1A1 755/4885

“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.