SCHEMBL6348189

SCHEMBL6348189

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(OCC2CCOC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 4/20 0.49
AKR1C1 Q04828 4/20 0.49
SERPINE1 P05121 2/20 0.47
KCNK2 O95069 1/20 0.47
KCNK10 P57789 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
GPR35 Q9HC97 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALB P02768 1/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PLK1 P53350 2/20 0.44
DHODH Q02127 1/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL6357237 0.90 AKR1C2 (0.64) AKR1C2AKR1C1NR1H4AKR1C4AKR1C3
SCHEMBL6348340 0.87 AKR1C2 (0.53) AKR1C2AKR1C1SERPINE1KCNK2KCNK10
SCHEMBL6353739 0.81 SERPINE1 (0.53) AKR1C2AKR1C1SERPINE1KCNK2KCNK10
SCHEMBL6349831 0.78 AKR1C2 (0.53) AKR1C2AKR1C1KCNK2KCNK10MEN1
SCHEMBL1307965 0.78 AKR1C2 (0.77) AKR1C2AKR1C1KCNK2KCNK10AKR1C4
SCHEMBL567481 0.77 PARP15 (0.51) NR1H4MEN1KMT2A
SCHEMBL6349385 0.77 AKR1C2 (0.71) AKR1C2AKR1C1SERPINE1KCNK2KCNK10
SCHEMBL6349607 0.76 AKR1C2 (0.70) AKR1C2AKR1C1SERPINE1NR1H4AKR1C4
SCHEMBL20512990 0.76 SERPINE1 (0.66) AKR1C2AKR1C1SERPINE1KCNK2KCNK10
SCHEMBL6346862 0.76 AKR1C2 (0.80) AKR1C2AKR1C1KCNK2KCNK10NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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 2615/4885SERPINE1 1929/4885

“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.