SCHEMBL5560529

SCHEMBL5560529

CCCOS(=O)(=O)[O-].C[n+]1cccc(Nc2ccc(CCO)c(O)c2)c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 4/20 0.31
▸ KDR P35968 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6130249 0.86 FFAR1 (0.33) —
SCHEMBL5561195 0.73 HSD17B2 (0.38) KDRL3MBTL1
SCHEMBL6130247 0.70 EGFR (0.32) —
Hydrochloric Acid SCHEMBL6130248 0.69 ARG1 (0.39) L3MBTL1
SCHEMBL5564793 0.68 KDR (0.40) KDRL3MBTL1
Iodide SCHEMBL5565778 0.67 KDR (0.41) KDRL3MBTL1
Hydrochloric Acid SCHEMBL5565999 0.67 KDR (0.41) KDRL3MBTL1
SCHEMBL20544415 0.64 BCHE (0.37) L3MBTL1
Hydrochloric Acid SCHEMBL6130235 0.62 ARG1 (0.41) L3MBTL1
Hydrochloric Acid SCHEMBL5561280 0.62 KDR (0.32) KDR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229479-B2 Method of coloring porous material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-06-12 — — US disclosed
US-20060162095-A1 Method of colouring porous material CIBA SPECIALTY CHEMICALS CORP. 2006-07-27 — — US disclosed
EP-1534226-A1 METHOD OF COLOURING POROUS MATERIAL Ciba SC Holding AG (CH) 2005-06-01 — — EP disclosed
WO-2004019897-A1 METHOD OF COLOURING POROUS MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-03-11 — — 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-20060162095-A1 Method of colouring porous material ACR, HLA-C, TYR PIK3CG 3686/4885KDR 4077/4885L3MBTL1 4611/4885

“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.

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