SCHEMBL4211236

SCHEMBL4211236

COc1cc(COc2ccc(C(=O)Nc3ccc(Br)cc3C(=O)O)cc2)cc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
AKR1C2 P52895 3/20 0.56
AKR1C1 Q04828 3/20 0.56
PLK1 P53350 3/20 0.54
PLK3 Q9H4B4 1/20 0.54
KCNK2 O95069 2/20 0.51
KCNK10 P57789 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CA2 P00918 1/20 0.48
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL4213146 0.91 AKR1C2 (0.61) MAPTAKR1C2AKR1C1PLK1PLK3
SCHEMBL6357045 0.89 AKR1C2 (0.74) MAPTAKR1C2AKR1C1MEN1KMT2A
SCHEMBL6349859 0.87 MAPT (0.76) MAPTAKR1C2AKR1C1PLK1PLK3
SCHEMBL4209179 0.87 AKR1C2 (0.56) MAPTAKR1C2AKR1C1PLK1PLK3
SCHEMBL6351828 0.86 PTGES (0.62) MAPTAKR1C2AKR1C1KCNK2KCNK10
SCHEMBL6349641 0.85 PLK1 (0.60) MAPTAKR1C2AKR1C1PLK1PLK3
SCHEMBL6349807 0.85 AKR1C2 (0.63) MAPTAKR1C2AKR1C1KCNK2KCNK10
SCHEMBL6353212 0.84 AKR1C2 (0.66) MAPTAKR1C2AKR1C1PLK1PLK3
SCHEMBL1307965 0.84 AKR1C2 (0.77) MAPTAKR1C2AKR1C1PLK1KCNK2
SCHEMBL4217129 0.83 AKR1C2 (0.54) MAPTAKR1C2AKR1C1PLK1KCNK2

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
CN-101193853-B Anthranilic acid derivatives HOFFMANN LA ROCHE 2011-11-23 CN claimed
US-20090247637-A1 Novel Anthranilic Acid Derivatives DEHMLOW HENRIETTA 2009-10-01 US claimed
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 (2 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 MAPT 4753/4885AKR1C2 3012/4885AKR1C1 2615/4885
US-20090247637-A1 Novel Anthranilic Acid Derivatives GPR84, GPR88, HCAR1 MAPT 4856/4885AKR1C2 1087/4885AKR1C1 1065/4885

“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.