SCHEMBL4065268

SCHEMBL4065268

COc1ccc(-c2cnc(C=O)n2COCC[Si](C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
ALOX15 P16050 2/20 0.44
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
DGAT1 O75907 2/20 0.36
FYN P06241 4/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 3/20 0.35
TSHR P16473 1/20 0.35
FLT3 P36888 2/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL4065251 0.88 TDP1 (0.40) TDP1ALOX15MAPTALDH1A1DGAT1
SCHEMBL4068100 0.88 FYN (0.40) TDP1MAPTALDH1A1FYNGAA
SCHEMBL4064489 0.84 ALDH1A1 (0.38) MAPTALDH1A1HTTGAALMNA
SCHEMBL27596081 0.81 FYN (0.37) TDP1ALDH1A1FYNGAALMNA
SCHEMBL4064875 0.80 F11 (0.32) TDP1MAPTDGAT1KDM4E
SCHEMBL4065179 0.78 EGFR (0.32) DGAT1FLT3
SCHEMBL27596318 0.78 DGAT1 (0.32) DGAT1FYNFLT3
SCHEMBL25586533 0.77 DGAT1 (0.36) MAPTDGAT1
SCHEMBL9958624 0.77 NPC1 (0.33) MAPTDGAT1
SCHEMBL4061944 0.74 DGAT1 (0.35) MAPTDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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 (3 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 TDP1 4352/4885ALOX15 2514/4885MAPT 4540/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 TDP1 4221/4885ALOX15 3398/4885MAPT 4266/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 TDP1 4352/4885ALOX15 2514/4885MAPT 4540/4885

“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.