SCHEMBL2846713

SCHEMBL2846713

CCCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CCC2

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.64
HSD17B10 Q99714 8/20 0.64
ALDH1A1 P00352 7/20 0.64
CASP1 P29466 4/20 0.64
HPGD P15428 4/20 0.64
CASP7 P55210 3/20 0.64
BAP1 Q92560 1/20 0.64
LMNA P02545 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
TP53 P04637 2/20 0.59
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
GAA P10253 2/20 0.56
ALOX15 P16050 2/20 0.56
TSHR P16473 2/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL2846711 1.00 KDM4E (0.64) KDM4EHSD17B10ALDH1A1CASP1HPGD
SCHEMBL2845686 0.95 HSD17B10 (0.67) KDM4EHSD17B10ALDH1A1CASP1HPGD
SCHEMBL2845689 0.95 HSD17B10 (0.67) KDM4EHSD17B10ALDH1A1CASP1HPGD
SCHEMBL3324986 0.93 KDM4E (0.71) KDM4EHSD17B10ALDH1A1CASP1HPGD
SCHEMBL3266248 0.92 ALDH1A1 (0.73) KDM4EHSD17B10ALDH1A1CASP1HPGD
SCHEMBL3325607 0.91 ALDH1A1 (0.69) KDM4EHSD17B10ALDH1A1CASP1HPGD
SCHEMBL2843210 0.90 LMNA (0.62) KDM4EHSD17B10ALDH1A1CASP1HPGD
SCHEMBL2848868 0.90 HSD17B10 (0.59) KDM4EHSD17B10ALDH1A1CASP1HPGD
SCHEMBL2848869 0.90 HSD17B10 (0.59) KDM4EHSD17B10ALDH1A1CASP1HPGD
SCHEMBL3320927 0.88 KDM4E (0.82) KDM4EHSD17B10ALDH1A1CASP1HPGD

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 KDM4E 1344/4885HSD17B10 1951/4885ALDH1A1 2491/4885

“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.