SCHEMBL545557

SCHEMBL545557

COc1ccc(C(C(=O)O)C2CC3C=CC2C3)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.42
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ACHE P22303 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
APP P05067 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
APAF1 O14727 1/20 0.33

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
SCHEMBL21525764 0.72 PTGS2 (0.41) KDM4EALDH1A1
SCHEMBL487560 0.69 ALDH1A1 (0.50) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5355608 0.65 PTGS2 (0.49) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL19374620 0.65 ALDH1A1 (0.48) KDM4EALDH1A1HPGDACHELCK
SCHEMBL9810575 0.65 ALDH1A1 (0.53) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8541971 0.64 APEX1 (0.75) APEX1ALDH1A1TSHRHSD17B10
SCHEMBL7352239 0.64 CA12 (0.55) TSHR
SCHEMBL15754098 0.63 ACHE (0.44) APEX1MEN1KMT2AKDM4EALDH1A1
SCHEMBL30100430 0.62 CSNK2A1 (0.59) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL91954 0.62 CSNK2A1 (0.59) MEN1KMT2AKDM4EALDH1A1HPGD

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 21 patents — showing the first 20. 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-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-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-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-20060270846-A1 Amphiphilic molecular modules and constructs based thereon COVALENT PARTNERS, LLC (US) 2006-11-30 US disclosed
US-20060128680-A1 Macrocyclic module compositions KRIESEL JOSH 2006-06-15 US disclosed
EP-1667965-A2 BRIDGED MACROCYCLIC MODULE COMPOSITIONS Covalent Partners, LLC (US) 2006-06-14 EP disclosed
US-20060041077-A1 Nanofilm compositions with polymeric components COVALENT PARTNERS LLC 2006-02-23 US disclosed
US-20050154199-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2005-07-14 US disclosed
WO-2005030711-A2 BRIDGED MACROCYCLIC MODULE COMPOSITIONS COVALENT PARTNERS LLC (US) 2005-04-07 WO disclosed
US-20040260085-A1 Nanofilm and membrane compositions COVALENT PARTNERS LLC 2004-12-23 US disclosed
US-20040106741-A1 Nanofilm compositions with polymeric components COVALENT PARTNERS LLC 2004-06-03 US disclosed
US-20040034223-A1 Amphiphilic molecular modules and constructs based thereon COVALENT PARTNERS, LLC. 2004-02-19 US disclosed
US-20030199688-A1 Macrocyclic module compositions COVALENT PARTNERS, LLC 2003-10-23 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 (9 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-20030199688-A1 Macrocyclic module compositions CYCS, IMMT, INTS9 APEX1 1592/4885MEN1 204/4885KMT2A 3497/4885
US-20100152438-A1 AMPHIPHILIC MOLECULAR MODULES AND CONSTRUCTS BASED THEREON ANXA6, THEM6, ANXA5 APEX1 2488/4885MEN1 1323/4885KMT2A 2799/4885
US-20050154199-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 APEX1 943/4885MEN1 1223/4885KMT2A 3294/4885
US-20060128680-A1 Macrocyclic module compositions CYCS, IMMT, INTS9 APEX1 1592/4885MEN1 204/4885KMT2A 3497/4885
US-20040034223-A1 Amphiphilic molecular modules and constructs based thereon ANXA6, THEM6, ANXA5 APEX1 2488/4885MEN1 1323/4885KMT2A 2799/4885
US-20040260085-A1 Nanofilm and membrane compositions CLPTM1, APMAP, PHOSPHO1 APEX1 1482/4885MEN1 2215/4885KMT2A 4088/4885
US-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 APEX1 948/4885MEN1 1259/4885KMT2A 3432/4885
US-20060270846-A1 Amphiphilic molecular modules and constructs based thereon ANXA6, THEM6, ANXA5 APEX1 2488/4885MEN1 1323/4885KMT2A 2799/4885
US-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 APEX1 943/4885MEN1 1223/4885KMT2A 3294/4885

“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.