SCHEMBL6834153

SCHEMBL6834153

CCCCCOc1cccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)n(C)c12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.44
AKR1C2 P52895 3/20 0.42
AKR1C1 Q04828 3/20 0.42
PTPN1 P18031 3/20 0.42
ALB P02768 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TRPM4 Q8TD43 1/20 0.37
AKR1C3 P42330 1/20 0.37
PTPN11 Q06124 1/20 0.37
NR1H4 Q96RI1 2/20 0.36

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
SCHEMBL6833983 0.91 AKR1C2 (0.42) PLK1AKR1C2AKR1C1ALBRXFP1
SCHEMBL6830475 0.91 ALB (0.46) AKR1C2AKR1C1ALBRXFP1LMNA
SCHEMBL6834068 0.89 ALB (0.43) AKR1C2AKR1C1ALBRXFP1LMNA
SCHEMBL6814183 0.88 MRGPRX4 (0.43) ALBRXFP1LMNAMAPTTRPM4
SCHEMBL6833872 0.86 KDM1A (0.43) ALBRXFP1LMNAMAPTTRPM4
SCHEMBL6834587 0.86 CYP1A2 (0.38) ALBRXFP1LMNAMAPTALDH1A1
SCHEMBL6830121 0.85 ALB (0.40) AKR1C2AKR1C1ALBRXFP1LMNA
SCHEMBL6833805 0.85 ALK (0.39) AKR1C2AKR1C1ALBRXFP1LMNA
SCHEMBL6834267 0.85 KDM1A (0.42) ALBRXFP1LMNAMAPTTRPM4
SCHEMBL6833801 0.85 ALK (0.39) AKR1C2AKR1C1ALBRXFP1LMNA

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
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 PLK1 4270/4885AKR1C2 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.