SCHEMBL6736653

SCHEMBL6736653

COC(=O)C1(C)CC(C)(C(=O)OC)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.35
FFAR3 O14843 1/20 0.35
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL17893308 0.89 FFAR3 (0.43) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL17893499 0.89 FFAR3 (0.43) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL8175853 0.85 FFAR3 (0.50) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL25616531 0.85 FFAR3 (0.50) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL283125 0.85
SCHEMBL25616533 0.85 FFAR3 (0.50) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL21680025 0.85 MEN1 (0.36) MEN1KMT2ANPSR1LMNA
SCHEMBL21503963 0.85 MEN1 (0.36) MEN1KMT2ANPSR1LMNA
SCHEMBL17893326 0.85 NPSR1 (0.43) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL1087123 0.83 MEN1 (0.35) MEN1KMT2ANPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-8110679-B2 Nanofilm and membrane compositions COVALENT PARTNERS LLC (US) 2012-02-07 US disclosed
US-8110679-B2 Nanofilm and membrane compositions COVALENT PARTNERS LLC (US) 2012-02-07 US disclosed
US-7595368-B2 Nanofilm compositions with polymeric components COVALENT PARTNERS, LLC (US) 2009-09-29 US disclosed
US-7595368-B2 Nanofilm compositions with polymeric components COVALENT PARTNERS, LLC (US) 2009-09-29 US disclosed
US-20090114596-A1 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS LLC 2009-05-07 US disclosed
US-20090114596-A1 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS LLC 2009-05-07 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-7432371-B2 Nanofilm and membrane compositions COVALENT PARTNERS, LLC (US) 2008-10-07 US disclosed
US-7432371-B2 Nanofilm and membrane compositions COVALENT PARTNERS, LLC (US) 2008-10-07 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 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 (2 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-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 MEN1 1259/4885KMT2A 3432/4885NPSR1 4029/4885
US-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 MEN1 1223/4885KMT2A 3294/4885NPSR1 4049/4885

“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.