SCHEMBL6318567

SCHEMBL6318567

COCCN(C(=O)OC(C)(C)C)c1cccc(CCO[Si](C)(C)C(C)(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.33
F2 P00734 4/20 0.33
DGAT1 O75907 1/20 0.33
CSNK2A2 P19784 1/20 0.32
FGFR4 P22455 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
BTN3A1 O00481 1/20 0.30
GBA1 P04062 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA5 P08648 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
SCHEMBL6325689 0.86 CSNK2A1 (0.40) CSNK2A1F2CSNK2A2FGFR4HDAC1
SCHEMBL19752004 0.76 CYP1A2 (0.38) F2HDAC1HDAC8HDAC6KDM4E
SCHEMBL19463410 0.74 BACE1 (0.36) HDAC1HDAC8HDAC6BTN3A1GBA1
SCHEMBL12733849 0.73 CYP1A2 (0.39) F2KDM4EALDH1A1RAB9AHSD17B10
SCHEMBL6319543 0.73 ITGB3 (0.59) F2ITGB1ITGA5
SCHEMBL12733833 0.72 CSNK2A1 (0.35) CSNK2A1CSNK2A2HDAC1HDAC8HDAC6
SCHEMBL12733832 0.72 HCRTR1 (0.39) HDAC1HDAC8HDAC6
SCHEMBL12733839 0.71 F2 (0.33) F2HDAC1HDAC8HDAC6
SCHEMBL6320585 0.71 CCR2 (0.40) BTN3A1
SCHEMBL12733838 0.71 ACHE (0.34) CSNK2A1F2CSNK2A2HDAC1HDAC8

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-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 US disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 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-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 CSNK2A1 1066/4885F2 2322/4885DGAT1 1946/4885

“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.