SCHEMBL1822124

SCHEMBL1822124

CCCCCCCCCCCCCCCCOc1cc(C(=O)OC)cc(C(=O)OC)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.66
SMPD1 P17405 3/20 0.55
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
PLA2G4B P0C869 1/20 0.51
ESR1 P03372 1/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL7089932 1.00 PLA2G2A (0.66) PLA2G2ASMPD1TP53TSHRPLA2G4B
SCHEMBL19829354 1.00 PLA2G2A (0.66) PLA2G2ASMPD1TP53TSHRPLA2G4B
SCHEMBL2710788 1.00 PLA2G2A (0.66) PLA2G2ASMPD1TP53TSHRPLA2G4B
SCHEMBL9402623 1.00 PLA2G2A (0.66) PLA2G2ASMPD1TP53TSHRPLA2G4B
SCHEMBL15956200 1.00 PLA2G2A (0.66) PLA2G2ASMPD1TP53TSHRPLA2G4B
SCHEMBL17413301 0.98 PLA2G2A (0.63) PLA2G2ASMPD1TP53TSHRPLA2G4B
SCHEMBL25328188 0.97 PLA2G2A (0.71) PLA2G2ASMPD1TP53TSHRPLA2G4B
SCHEMBL317989 0.97 PLA2G2A (0.71) PLA2G2ASMPD1TP53TSHRPLA2G4B
SCHEMBL971768 0.97 PLA2G2A (0.71) PLA2G2ASMPD1TP53TSHRPLA2G4B
SCHEMBL25327393 0.97 PLA2G2A (0.71) PLA2G2ASMPD1TP53TSHRPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2316819-B1 Self-assembled nanostructures XEROX CORP (US) 2017-11-08 EP disclosed
US-8980925-B2 Antimicrobial amphiphiles and methods for their use JAMES MADISON INNOVATIONS, INC. (US) 2015-03-17 US disclosed
US-20140148487-A1 ANTIMICROBIAL AMPHIPHILES AND METHODS FOR THEIR USE James Madison Innovations, Inc, (US) 2014-05-29 US disclosed
US-8703988-B2 Self-assembled nanostructures XEROX CORPORATION (US) 2014-04-22 US disclosed
WO-2012054695-A1 NTIMICROBIAL AMPHIPHILES AND METHODS FOR THEIR USE JAMES MADISON INNOVATIONS, INC. (US) 2012-04-26 WO disclosed
US-20110311813-A1 SELF-ASSEMBLED NANOSTRUCTURES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2011-12-22 US disclosed
EP-2316819-A2 Self-assembled nanostructures Xerox Corporation (US) 2011-05-04 EP disclosed
US-20070196407-A1 Alkoxyphenylcarboxylic acid derivatives CHIBA SPECIALTY CHEMICALS CORP. 2007-08-23 US disclosed
US-20070196407-A1 Alkoxyphenylcarboxylic acid derivatives CHIBA SPECIALTY CHEMICALS CORP. 2007-08-23 US disclosed
US-20070196407-A1 Alkoxyphenylcarboxylic acid derivatives CHIBA SPECIALTY CHEMICALS CORP. 2007-08-23 US disclosed
EP-1715832-A1 ALKOXYPHENYLCARBOXYLIC ACID DERIVATIVES Ciba SC Holding AG (CH) 2006-11-02 EP disclosed
WO-2005079744-A1 ALKOXYPHENYLCARBOXYLIC ACID DERIVATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-09-01 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 (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-20140148487-A1 ANTIMICROBIAL AMPHIPHILES AND METHODS FOR THEIR USE ANXA5, ANXA4, ANXA6 PLA2G2A 221/4885SMPD1 132/4885TP53 3759/4885
US-20070196407-A1 Alkoxyphenylcarboxylic acid derivatives C9, C1S, C5 PLA2G2A 813/4885SMPD1 641/4885TP53 1042/4885
US-20110311813-A1 SELF-ASSEMBLED NANOSTRUCTURES ARG1, H1-3, H1-4 PLA2G2A 1802/4885SMPD1 4475/4885TP53 992/4885

“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.