SCHEMBL6835637

SCHEMBL6835637

CC(C)OCC(O)COc1cccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)n(C)c12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
ALB P02768 3/20 0.36
TRPA1 O75762 1/20 0.36
TRPM4 Q8TD43 1/20 0.35
FNTA P49354 3/20 0.34
FNTB P49356 3/20 0.34
TP53 P04637 1/20 0.34
BRPF1 P55201 1/20 0.34
KDM1A O60341 1/20 0.34
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
PYGL P06737 1/20 0.33
PYGM P11217 1/20 0.33
HTT P42858 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL6833801 0.91 ALK (0.39) RXFP1LMNAMAPTALBTRPA1
SCHEMBL6833805 0.91 ALK (0.39) RXFP1LMNAMAPTALBTRPA1
SCHEMBL6834006 0.91 LMNA (0.40) RXFP1LMNAMAPTALBTRPA1
SCHEMBL6830870 0.90 TRPM4 (0.38) RXFP1LMNAMAPTALBTRPA1
SCHEMBL6833785 0.90 ALB (0.37) RXFP1LMNAMAPTALBTRPA1
SCHEMBL6818501 0.88 ALB (0.39) RXFP1LMNAMAPTALBTRPA1
SCHEMBL6833684 0.87 ALB (0.35) RXFP1LMNAMAPTALBTRPA1
SCHEMBL6818896 0.86 BRPF1 (0.40) RXFP1LMNAMAPTALBTRPA1
SCHEMBL6830475 0.84 ALB (0.46) RXFP1LMNAMAPTALBTRPM4
SCHEMBL6814183 0.84 MRGPRX4 (0.43) RXFP1LMNAMAPTALBTRPM4

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 NR2E1 2284/4885RXFP1 3523/4885LMNA 3376/4885

“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.