SCHEMBL6833771

SCHEMBL6833771

CC(C)(C)CC(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.43
ALB P02768 2/20 0.40
CCKAR P32238 1/20 0.39
NSD2 O96028 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
NHERF1 O14745 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.37
PLA2G7 Q13093 1/20 0.37

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
SCHEMBL6830151 0.90 ALB (0.42) NR1H4ALBCCKARNSD2RXFP1
SCHEMBL6833910 0.88 KDM4E (0.45) NR1H4ALBNSD2RXFP1POLB
SCHEMBL6830640 0.88 NR1H4 (0.40) NR1H4ALBCCKARRXFP1
SCHEMBL6833897 0.88 ALB (0.42) NR1H4ALBNSD2RXFP1NHERF1
SCHEMBL6835677 0.87 CCKAR (0.41) NR1H4ALBCCKARNSD2NHERF1
SCHEMBL6835807 0.87 ALB (0.41) NR1H4ALBNSD2RXFP1NHERF1
SCHEMBL6830655 0.87 ALB (0.43) NR1H4ALBNSD2RXFP1POLB
SCHEMBL6833683 0.87 NR1H4 (0.48) NR1H4
SCHEMBL6833137 0.87 MAP3K5 (0.44) NR1H4ALBCCKARNSD2RXFP1
SCHEMBL6835693 0.86 POLB (0.47) ALBRXFP1POLB

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 NR1H4 1201/4885ALB 1417/4885CCKAR 4035/4885

“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.