SCHEMBL2852889

SCHEMBL2852889

CCCOc1ccccc1C1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.62
ALDH1A1 P00352 8/20 0.62
CASP1 P29466 5/20 0.62
CASP7 P55210 5/20 0.62
HPGD P15428 4/20 0.62
BAP1 Q92560 1/20 0.62
TSHR P16473 2/20 0.60
KDM4E B2RXH2 9/20 0.58
GAA P10253 3/20 0.58
LMNA P02545 3/20 0.56
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL2852890 1.00 HSD17B10 (0.62) HSD17B10ALDH1A1CASP1CASP7HPGD
SCHEMBL2848868 0.95 HSD17B10 (0.59) HSD17B10ALDH1A1CASP1CASP7HPGD
SCHEMBL2848869 0.95 HSD17B10 (0.59) HSD17B10ALDH1A1CASP1CASP7HPGD
SCHEMBL2845686 0.90 HSD17B10 (0.67) HSD17B10ALDH1A1CASP1CASP7HPGD
SCHEMBL3324053 0.90 ALDH1A1 (0.75) HSD17B10ALDH1A1CASP1CASP7HPGD
SCHEMBL2845689 0.90 HSD17B10 (0.67) HSD17B10ALDH1A1CASP1CASP7HPGD
SCHEMBL2846776 0.88 HSD17B10 (0.59) HSD17B10ALDH1A1CASP1CASP7HPGD
SCHEMBL2846778 0.88 HSD17B10 (0.59) HSD17B10ALDH1A1CASP1CASP7HPGD
SCHEMBL2846743 0.88 ALDH1A1 (0.61) HSD17B10ALDH1A1CASP1CASP7HPGD
SCHEMBL3325607 0.87 ALDH1A1 (0.69) HSD17B10ALDH1A1CASP1CASP7HPGD

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
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 US claimed
WO-2010056907-A2 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-20 WO claimed
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 US disclosed
WO-2010056907-A2 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-20 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-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION IAPP, PNLIP, GPR119 HSD17B10 1951/4885ALDH1A1 2491/4885CASP1 1152/4885

“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.