SCHEMBL4065353

SCHEMBL4065353

C[Si](C)(C)CCOCn1cncc1-c1ccc2c(c1)CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.37
CYP11B2 P19099 8/20 0.37
DGAT1 O75907 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 3/20 0.32
TSHR P16473 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CACNA1G O43497 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
SCHEMBL31403102 0.79 DGAT1 (0.41) CYP11B1CYP11B2DGAT1
SCHEMBL26693782 0.78 CYP11B1 (0.51) CYP11B1CYP11B2DGAT1ALDH1A1RAB9A
SCHEMBL22075678 0.78 CYP11B1 (0.43) CYP11B1CYP11B2DGAT1ALDH1A1RAB9A
SCHEMBL13070711 0.77 DGAT1 (0.38) CYP11B1CYP11B2DGAT1ALDH1A1BRD4
SCHEMBL4062723 0.77 CYP11B1 (0.50) CYP11B1CYP11B2DGAT1ALDH1A1RAB9A
SCHEMBL23718770 0.77 IDO1 (0.41) CYP11B1CYP11B2DGAT1ALDH1A1RAB9A
SCHEMBL203831 0.77 CYP11B1 (0.48) CYP11B1CYP11B2DGAT1ALDH1A1RAB9A
SCHEMBL4064922 0.77 BRD9 (0.46) CYP11B1CYP11B2MAPTTP53
SCHEMBL2144217 0.77 CYP11B1 (0.40) CYP11B1CYP11B2DGAT1ALDH1A1TSHR
SCHEMBL14859280 0.75 DGAT1 (0.39) CYP11B1CYP11B2DGAT1

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 CYP11B1 711/4885CYP11B2 688/4885DGAT1 2719/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 CYP11B1 1034/4885CYP11B2 1102/4885DGAT1 3612/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 CYP11B1 711/4885CYP11B2 688/4885DGAT1 2719/4885

“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.