SCHEMBL6023746

SCHEMBL6023746

CCC(C(=O)O)c1ccc(OC(F)F)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 11/20 0.56
AKR1C2 P52895 11/20 0.56
AKR1C1 Q04828 2/20 0.56
PTGS1 P23219 1/20 0.56
AKR1B10 O60218 1/20 0.48
AKR1C4 P17516 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.47
ACHE P22303 1/20 0.47
LDHA P00338 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
BLM P54132 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL6023450 0.94 AKR1C3 (0.56) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL3828059 0.88 AKR1C3 (0.65) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL10779075 0.86 AKR1C3 (0.49) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL6024128 0.83 AKR1C3 (0.52) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL11454673 0.81 AKR1C3 (0.52) AKR1C3AKR1C2KDM4EHTTACHE
SCHEMBL8092960 0.81 AKR1C3 (0.60) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL6023193 0.80 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL6023191 0.80 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL2495059 0.79 AKR1C3 (0.58) AKR1C3AKR1C2AKR1C1PTGS1AKR1B10
SCHEMBL298386 0.79 TSHR (0.67) AKR1C3AKR1C2AKR1C1PTGS1HTT

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.