SCHEMBL6109596

SCHEMBL6109596

CCC(Br)C(=O)C(C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.44
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
CA14 Q9ULX7 3/20 0.35
CA12 O43570 2/20 0.35
MIF P14174 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
BIRC2 Q13490 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 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
SCHEMBL1844645 0.80
SCHEMBL532563 0.80
SCHEMBL2326753 0.80
SCHEMBL4476955 0.78 SMN1; SMN2 (0.41) ZDHHC7CA1CA2ALDH1A1KMT2A
SCHEMBL1920162 0.77 SMN1; SMN2 (0.48) ZDHHC7CA1CA2ALDH1A1KMT2A
SCHEMBL7100492 0.75 CA1 (0.38) ZDHHC7CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL28380729 0.72 ZDHHC7 (0.50) ZDHHC7CA1CA2ALDH1A1KMT2A
SCHEMBL16160087 0.72 SMN1; SMN2 (0.44) CA1CA2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL29568173 0.72 CA1 (0.36) ZDHHC7CA1CA2SMN1; SMN2CA14
SCHEMBL21177034 0.71 ZDHHC7 (0.48) ZDHHC7CA1CA2ALDH1A1KMT2A

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-20060166983-A1 Indole derivatives as ppar modulators ELI LILLY AND COMPANY 2006-07-27 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-20060166983-A1 Indole derivatives as ppar modulators PPARA, PPARD, PPARG ZDHHC7 317/4885CA1 4845/4885CA2 3245/4885

“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.