SCHEMBL16501577

SCHEMBL16501577

CCOC(=O)C(=O)/C=C(\O)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
GLO1 Q04760 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SOAT1 P35610 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EGLN1 Q9GZT9 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CYP2C9 P11712 2/20 0.35
MAPT P10636 4/20 0.34

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
SCHEMBL5960429 0.83 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1234195 0.80 FAAH (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1234194 0.80 FAAH (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1234536 0.80 NPSR1 (0.41) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1234534 0.80 NPSR1 (0.41) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL16883788 0.80 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL17619384 0.80 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL4575182 0.77 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL14924174 0.77 NPSR1 (0.56) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL2593347 0.76 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2

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-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 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-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS HIF1AN, HIF1A, VHL NPSR1 3272/4885GLO1 445/4885ALDH1A1 604/4885

“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.