SCHEMBL6833362

SCHEMBL6833362

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.41
RXFP1 Q9HBX9 1/20 0.36
GCK P35557 5/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
TRPA1 O75762 1/20 0.35
KDM1A O60341 1/20 0.35
BRPF1 P55201 2/20 0.35
TRPM4 Q8TD43 1/20 0.35
ICMT O60725 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34

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
SCHEMBL6818896 0.90 BRPF1 (0.40) ALBRXFP1LMNAMAPTTP53
SCHEMBL6830475 0.88 ALB (0.46) ALBRXFP1LMNAMAPTTP53
SCHEMBL6833801 0.83 ALK (0.39) ALBRXFP1LMNAMAPTTP53
SCHEMBL6833805 0.83 ALK (0.39) ALBRXFP1LMNAMAPTTP53
SCHEMBL6833983 0.83 AKR1C2 (0.42) ALBRXFP1LMNAMAPTTP53
SCHEMBL6834153 0.83 PLK1 (0.44) ALBRXFP1LMNAMAPTTRPM4
SCHEMBL6835637 0.83 NR2E1 (0.39) ALBRXFP1LMNAMAPTTP53
SCHEMBL6814183 0.83 MRGPRX4 (0.43) ALBRXFP1LMNAMAPTTRPM4
SCHEMBL6830870 0.83 TRPM4 (0.38) ALBRXFP1LMNAMAPTTP53
SCHEMBL6711764 0.82 GCK (0.33) GCKLMNAMAPTTRPA1KDM1A

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 ALB 1417/4885RXFP1 3523/4885GCK 1670/4885

“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.