SCHEMBL3884549

SCHEMBL3884549

CC1(C(=O)O)C=CC(c2ccc(O)cc2)=CC1.Cc1ccc(CC2(C(=O)O)C=CC(c3ccc(O)cc3)=CC2)cc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.32
GRIN2D O15399 3/20 0.32
GRIN3B O60391 3/20 0.32
ADRA1A P35348 3/20 0.32
GRIN1 Q05586 3/20 0.32
GRIN2A Q12879 3/20 0.32
GRIN2C Q14957 3/20 0.32
GRIN3A Q8TCU5 3/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1B P35368 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6135426 0.93 GRIN2B (0.35) GRIN2BGRIN2DGRIN3BADRA1AGRIN1
SCHEMBL3883554 0.85 ALDH1A1 (0.33) KDM4EMEN1MAPTKMT2A
SCHEMBL28908500 0.68 RARA (0.31)
SCHEMBL31559989 0.65 APP (0.34) MEN1MAPTKMT2A
SCHEMBL28768953 0.64 RARA (0.33) MAPT
SCHEMBL4459328 0.64 SRR (0.32)
SCHEMBL27630130 0.64 PTPN1 (0.33)
SCHEMBL21043747 0.63 PSEN1 (0.33)
SCHEMBL28757628 0.63 TSHR (0.41) ADRA1AMEN1KMT2A
SCHEMBL7327613 0.63

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
EP-1430025-B1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING BACTERIAL INFECTION ZHU DEXU (CN) 2009-01-14 EP disclosed
US-6734212-B2 ADMINISTERING AGENT THAT SELECTIVELY INHIBITS BACTERIAL DNA REPLICATION INITIATION; FOR DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH E. COLI OR H. PYLORI INFECTION SHANGHAI EAST BEST BIOPHARMACEUTICAL (CN) 2004-05-11 US disclosed
US-20030125384-A1 Methods and compositions for treating or preventing bacterial infection NANJING UNIVERSITY (CN) 2003-07-03 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-20030125384-A1 Methods and compositions for treating or preventing bacterial infection MPO, TNF, APC GRIN2B 4703/4885GRIN2D 4807/4885GRIN3B 4585/4885

“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.