SCHEMBL6736700

SCHEMBL6736700

CCOC(=O)C1(C)CC(C)(C(=O)OCC)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 3/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
ATM Q13315 1/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
TRPA1 O75762 1/20 0.37
OPRM1 P35372 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRD1 P41143 2/20 0.35

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
SCHEMBL2289941 0.87
SCHEMBL16699759 0.87 POLB (0.41) POLBBRD4ALDH1A1LMNAHSD17B10
SCHEMBL25555608 0.87 POLB (0.41) POLBBRD4ALDH1A1LMNAHSD17B10
SCHEMBL15085798 0.87 POLB (0.41) POLBBRD4ALDH1A1LMNAHSD17B10
SCHEMBL18658463 0.83 SMN1; SMN2 (0.41) POLBBRD4ALDH1A1LMNAHSD17B10
SCHEMBL16700288 0.83 POLB (0.39) POLBBRD4ALDH1A1LMNAHSD17B10
SCHEMBL25299400 0.82 ATM (0.39) POLBBRD4ALDH1A1LMNAHSD17B10
SCHEMBL14127677 0.82 POLB (0.38) POLBBRD4ALDH1A1LMNAHSD17B10
SCHEMBL12751319 0.81 BRD4 (0.45) POLBBRD4ALDH1A1LMNAHSD17B10
SCHEMBL265557 0.81 SMN1; SMN2 (0.45) POLBBRD4ALDH1A1LMNAHSD17B10

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 8 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-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-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-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-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 POLB 491/4885BRD4 869/4885ALDH1A1 4017/4885
US-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 POLB 526/4885BRD4 773/4885ALDH1A1 3961/4885

“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.