SCHEMBL6023191

SCHEMBL6023191

CCC(C(=O)O)c1ccc(OC(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 11/20 0.47
AKR1C2 P52895 11/20 0.47
AKR1C1 Q04828 2/20 0.44
PTGS1 P23219 1/20 0.44
GRM8 O00222 3/20 0.42
GRM4 Q14833 3/20 0.42
GRM6 O15303 2/20 0.42
PDK1 Q15118 1/20 0.41
FFAR1 O14842 1/20 0.39
XDH P47989 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1C4 P17516 1/20 0.39

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
SCHEMBL6023193 1.00 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1PTGS1GRM8
SCHEMBL11444860 0.82 PDK1 (0.45) AKR1C3AKR1C2GRM8GRM4GRM6
SCHEMBL11684128 0.81 MEN1 (0.44) AKR1C3AKR1C2AKR1C1PTGS1GRM8
SCHEMBL6023746 0.80 AKR1C3 (0.56) AKR1C3AKR1C2AKR1C1PTGS1KDM4E
SCHEMBL6023450 0.80 AKR1C3 (0.56) AKR1C3AKR1C2AKR1C1PTGS1KDM4E
SCHEMBL10779075 0.80 AKR1C3 (0.49) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL11680895 0.80 AKR1C3 (0.43) AKR1C3AKR1C2AKR1C1PTGS1GRM8
SCHEMBL11680102 0.80 AKR1C3 (0.45) AKR1C3AKR1C2AKR1C1PTGS1GRM8
SCHEMBL11683356 0.79 RAB9A (0.43) AKR1C3AKR1C2AKR1C1PTGS1GRM8
SCHEMBL11683366 0.79 RAB9A (0.43) AKR1C3AKR1C2AKR1C1PTGS1GRM8

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-20060106037-A1 Purin-6-one-derivatives ALTANA PHARMA AG (DE) 2006-05-18 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-20060106037-A1 Purin-6-one-derivatives PDE4B, PDE4A, PDE2A AKR1C3 1804/4885AKR1C2 2158/4885AKR1C1 2049/4885

“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.