SCHEMBL6834006

SCHEMBL6834006

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALB P02768 3/20 0.38
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 2/20 0.36
TRPM4 Q8TD43 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.34
TRPA1 O75762 1/20 0.34
PKM P14618 1/20 0.34
MAPK14 Q16539 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
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
SCHEMBL6833785 0.93 ALB (0.37) LMNAMAPTRXFP1ALBAKR1C2
SCHEMBL6833801 0.91 ALK (0.39) LMNAMAPTRXFP1ALBAKR1C2
SCHEMBL6833805 0.91 ALK (0.39) LMNAMAPTRXFP1ALBAKR1C2
SCHEMBL6818501 0.91 ALB (0.39) LMNAMAPTRXFP1ALBAKR1C2
SCHEMBL6835637 0.91 NR2E1 (0.39) LMNAMAPTRXFP1ALBTRPM4
SCHEMBL6830870 0.90 TRPM4 (0.38) LMNAMAPTRXFP1ALBAKR1C2
SCHEMBL6833684 0.90 ALB (0.35) LMNAMAPTRXFP1ALBAKR1C2
SCHEMBL6834153 0.84 PLK1 (0.44) LMNAMAPTRXFP1ALBAKR1C2
SCHEMBL6814183 0.84 MRGPRX4 (0.43) LMNAMAPTRXFP1ALBTRPM4
SCHEMBL6830475 0.84 ALB (0.46) LMNAMAPTRXFP1ALBAKR1C2

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 LMNA 3376/4885MAPT 4759/4885RXFP1 3523/4885

“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.