SCHEMBL6133067

SCHEMBL6133067

COCCOCC(=O)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
NAMPT P43490 1/20 0.33
TSHR P16473 3/20 0.31
PLA2G4B P0C869 3/20 0.31
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
HSD17B10 Q99714 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL9157319 0.98 ALDH1A1 (0.38) ALDH1A1LDHASRRNAMPTTSHR
SCHEMBL157312 0.81
SCHEMBL14193699 0.81 MGAM (0.39) NAMPTTSHRHSD17B10
SCHEMBL27390467 0.81 ALDH1A1 (0.42) ALDH1A1LDHASRRTSHRBLM
SCHEMBL28344240 0.80 PLA2G4B (0.38) ALDH1A1LDHASRRTSHRPLA2G4B
SCHEMBL102373 0.79 ALDH1A1 (0.43) ALDH1A1NAMPTTSHRBLMPMP22
SCHEMBL3791284 0.79 ALDH1A1 (0.43) ALDH1A1NAMPTTSHRBLMPMP22
SCHEMBL18244613 0.79 ALDH1A1 (0.43) ALDH1A1NAMPTTSHRBLMPMP22
SCHEMBL21876707 0.79 ALDH1A1 (0.43) ALDH1A1NAMPTTSHRBLMPMP22
SCHEMBL14660364 0.79 ALDH1A1 (0.43) ALDH1A1NAMPTTSHRBLMPMP22

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075342-A1 Pyrrolopyridazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-07 US disclosed
EP-1115782-B1 METHOD OF PREPARING A STERILE ARTICLE OCCIDENTAL CHEM CO (US) 2003-03-26 EP disclosed
US-6113852-A A POLY(VINYL CHLORIDE) OR POLYVINYLIDENE CHLORIDE POLYMER IS PRODUCED THAT CONTAINS ABOUT 0.001 TO ABOUT 5 WT % OF A ZINC COMPLEX OCCIDENTAL CHEMICAL CORPORATION (US) 2000-09-05 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-20050075342-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 ALDH1A1 328/4885LDHA 1671/4885SRR 2090/4885

“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.