SCHEMBL6833894

SCHEMBL6833894

COCCOCCCSc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cn1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.77
AKR1C2 P52895 4/20 0.48
AKR1C1 Q04828 4/20 0.48
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
KCNK2 O95069 1/20 0.44
KCNK10 P57789 1/20 0.44
PLK1 P53350 4/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
CXCR1 P25024 3/20 0.43
CXCR2 P25025 3/20 0.43
POLB P06746 1/20 0.41
MCL1 Q07820 1/20 0.40
BCL2A1 Q16548 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6835634 0.89 ALB (0.77) ALBAKR1C2AKR1C1KDM4EHTT
SCHEMBL6818627 0.87 ALB (0.59) ALBAKR1C2AKR1C1KDM4EKCNK2
SCHEMBL6830537 0.87 ALB (1.00) ALBAKR1C2AKR1C1KDM4EHTT
SCHEMBL6813815 0.85 PLK1 (0.57) ALBAKR1C2AKR1C1KDM4EHTT
SCHEMBL6821338 0.77 ALB (0.60) ALBAKR1C2AKR1C1KDM4EKCNK2
SCHEMBL6818067 0.76 NPC1 (0.61) ALBAKR1C2AKR1C1HTTKCNK2
SCHEMBL6353212 0.75 AKR1C2 (0.66) AKR1C2AKR1C1KCNK2KCNK10PLK1
SCHEMBL6835618 0.75 ALB (0.62) ALBAKR1C2AKR1C1POLBMEN1
SCHEMBL6819161 0.74 ALB (0.79) ALBAKR1C2AKR1C1PLK1MCL1
SCHEMBL6835722 0.74 PLK1 (0.57) ALBKDM4EHTTKCNK2KCNK10

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALB 1417/4885AKR1C2 2596/4885AKR1C1 2161/4885

“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.