SCHEMBL6348181

SCHEMBL6348181

CCOCCOCCOc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 3/20 0.64
AKR1C1 Q04828 3/20 0.64
PLK1 P53350 5/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 5/20 0.53
KCNK2 O95069 1/20 0.51
KCNK10 P57789 1/20 0.51
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
TP53 P04637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
POLB P06746 1/20 0.47
ABL1 P00519 1/20 0.47
TSHR P16473 1/20 0.47
RIN1 Q13671 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL6350022 0.89 AKR1C2 (0.72) AKR1C2AKR1C1PLK1MEN1KMT2A
SCHEMBL6353212 0.89 AKR1C2 (0.66) AKR1C2AKR1C1PLK1MEN1KMT2A
SCHEMBL6346862 0.89 AKR1C2 (0.80) AKR1C2AKR1C1PLK1MEN1KMT2A
SCHEMBL1307965 0.89 AKR1C2 (0.77) AKR1C2AKR1C1PLK1MEN1KMT2A
SCHEMBL6352151 0.89 AKR1C2 (0.80) AKR1C2AKR1C1MEN1KMT2ANPC1
SCHEMBL6349385 0.88 AKR1C2 (0.71) AKR1C2AKR1C1PLK1MEN1KMT2A
SCHEMBL6353181 0.87 AKR1C2 (0.77) AKR1C2AKR1C1PLK1MEN1KMT2A
SCHEMBL6357117 0.85 AKR1C2 (0.61) AKR1C2AKR1C1PLK1MEN1KMT2A
SCHEMBL6349728 0.83 AKR1C2 (0.62) AKR1C2AKR1C1PLK1MEN1KMT2A
SCHEMBL6817144 0.83 AKR1C2 (0.63) AKR1C2AKR1C1PLK1MEN1KMT2A

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-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed

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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 AKR1C2 3012/4885AKR1C1 2615/4885PLK1 3959/4885

“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.