SCHEMBL6830691

SCHEMBL6830691

COc1ccc(CCCC(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4C(=O)O)[nH]c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.47
PLK3 Q9H4B4 1/20 0.47
RAB9A P51151 1/20 0.44
HCAR2 Q8TDS4 4/20 0.44
POLB P06746 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
MAPT P10636 1/20 0.41
PPARD Q03181 1/20 0.40
ALB P02768 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
TOP2A P11388 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6834150 0.91 HCAR2 (0.44) HCAR2HDAC3HDAC1
SCHEMBL6834350 0.91 ALDH1A1 (0.50) PLK1PLK3HCAR2POLBMAPT
SCHEMBL6834149 0.89 HCAR2 (0.48) PLK1PLK3HCAR2HDAC3HDAC1
SCHEMBL6834218 0.87 HDAC3 (0.42) POLBHDAC3HDAC1ALBKDM4E
SCHEMBL6834088 0.86 HDAC3 (0.46) HCAR2POLBHDAC3HDAC1ALB
SCHEMBL6835693 0.86 POLB (0.47) PLK1POLBHDAC3HDAC1ALB
SCHEMBL6834023 0.86 HCAR2 (0.43) HCAR2KDM4E
SCHEMBL7198190 0.86 ALB (0.46) PLK1PLK3RAB9AHCAR2HDAC1
SCHEMBL6833331 0.85 PTPN2 (0.44) PLK1PLK3POLBHDAC3HDAC1
SCHEMBL6833069 0.85 POLB (0.48) RAB9APOLBMAPTPPARDALDH1A1

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 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 PLK1 4270/4885PLK3 3358/4885RAB9A 4337/4885

“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.