SCHEMBL6818896

SCHEMBL6818896

CC(C)Oc1cccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)n(C)c12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 4/20 0.40
RXFP1 Q9HBX9 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
ALB P02768 3/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
TRPA1 O75762 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
EIF4E P06730 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
SLC6A9 P48067 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
DHODH Q02127 1/20 0.36
CXCR5 P32302 1/20 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
SCHEMBL6833362 0.90 ALB (0.41) BRPF1RXFP1ALBTRPA1LMNA
SCHEMBL6835637 0.86 NR2E1 (0.39) BRPF1RXFP1ALBTRPA1HTT
SCHEMBL6814183 0.85 MRGPRX4 (0.43) RXFP1ALBLMNAMAPT
SCHEMBL6830475 0.85 ALB (0.46) BRPF1RXFP1ALBLMNATP53
SCHEMBL6833985 0.84 ALB (0.42) ALBTRPA1HTTLMNATP53
SCHEMBL6833805 0.84 ALK (0.39) RXFP1IRAK4ALBTRPA1LMNA
SCHEMBL6833801 0.84 ALK (0.39) RXFP1IRAK4ALBTRPA1LMNA
SCHEMBL6834260 0.84 GPR6 (0.41) CXCR5
SCHEMBL6833872 0.84 KDM1A (0.43) RXFP1ALBLMNAMAPT
SCHEMBL6833983 0.84 AKR1C2 (0.42) RXFP1ALBLMNATP53MAPT

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
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
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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 BRPF1 111/4885RXFP1 3523/4885IRAK4 811/4885

“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.