SCHEMBL2822756

SCHEMBL2822756

CC(C)(C)OC(=O)C(C)(C)Sc1ccc(C(=O)OCc2cnn(Cc3ccc(F)c(F)c3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.37
SCD O00767 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
SCD5 Q86SK9 1/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
GRM2 Q14416 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2821029 0.90 TBXAS1 (0.39) KLKB1SCDALDH1A1POLBCACNA1G
SCHEMBL2819508 0.88 TSHR (0.36) KLKB1ALDH1A1POLBRAB9AL3MBTL1
SCHEMBL2819377 0.87 KLKB1 (0.39) KLKB1SCDSMN1; SMN2KMT2A
SCHEMBL2822380 0.87 LMNA (0.41) SCDALDH1A1SCD5RAB9AL3MBTL1
SCHEMBL2821921 0.86 THRB (0.42) SCD5MAOBADORA2AADORA2BADORA1
SCHEMBL2818632 0.85 GPR119 (0.37) KLKB1SCDALDH1A1POLBRAB9A
SCHEMBL2819683 0.85 KLKB1 (0.37) KLKB1ALDH1A1POLBCACNA1GCACNA1H
SCHEMBL2821362 0.84 RARB (0.35) SMN1; SMN2
SCHEMBL2826253 0.79 BCL9 (0.44) KLKB1ALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL2819674 0.77 TBXAS1 (0.43) KLKB1ALDH1A1POLBRAB9AL3MBTL1

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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG KLKB1 1854/4885SCD 252/4885ALDH1A1 461/4885

“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.