SCHEMBL13612657

SCHEMBL13612657

C=CC(=O)OCC(C)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TP53 P04637 3/20 0.52
HIF1A Q16665 3/20 0.52
CYP3A4 P08684 2/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 7/20 0.44
THRB P10828 2/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL19428646 0.84 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL12394812 0.83 ALDH1A1 (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL12791836 0.82 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL3146174 0.81 ALDH1A1 (0.57) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL29652683 0.80 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL19891772 0.80 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL14336802 0.79 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL19432888 0.79 ALDH1A1 (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL8451857 0.79 ALDH1A1 (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL184088 0.79 ALDH1A1 (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1

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 ALDH1A1 755/4885TP53 290/4885HIF1A 1439/4885

“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.