SCHEMBL6737565

SCHEMBL6737565

CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)/C=C/C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.57
ALDH1A1 P00352 9/20 0.52
HPGD P15428 2/20 0.52
CYP19A1 P11511 2/20 0.51
TRPA1 O75762 2/20 0.46
TRPM8 Q7Z2W7 2/20 0.46
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL13674748 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL545429 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL13476390 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL13675571 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL6701412 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL13674746 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL13476726 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL16387737 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL14226245 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL15335366 1.00 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1

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 18 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-7767810-B2 Macrocyclic modules comprising linked cyclic synthon units for use in the formation of selectively permeable membranes COVALENT PARTNERS, LLC (US) 2010-08-03 US disclosed
US-20100152438-A1 AMPHIPHILIC MOLECULAR MODULES AND CONSTRUCTS BASED THEREON COVALENT PARTNERS LLC 2010-06-17 US disclosed
US-20100152438-A1 AMPHIPHILIC MOLECULAR MODULES AND CONSTRUCTS BASED THEREON COVALENT PARTNERS LLC 2010-06-17 US disclosed
US-7595368-B2 Nanofilm compositions with polymeric components COVALENT PARTNERS, LLC (US) 2009-09-29 US disclosed
US-7563890-B2 Amphiphilic molecular modules and constructs based thereon COVALENT PARTNERS, LLC (US) 2009-07-21 US disclosed
US-7563890-B2 Amphiphilic molecular modules and constructs based thereon COVALENT PARTNERS, LLC (US) 2009-07-21 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-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 (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-20100152438-A1 AMPHIPHILIC MOLECULAR MODULES AND CONSTRUCTS BASED THEREON ANXA6, THEM6, ANXA5 EPHX1 1648/4885ALDH1A1 4330/4885HPGD 4706/4885
US-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 EPHX1 2497/4885ALDH1A1 4017/4885HPGD 1968/4885
US-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 EPHX1 2589/4885ALDH1A1 3961/4885HPGD 2178/4885

“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.