SCHEMBL4697698

SCHEMBL4697698

Nc1ccccc1C(=O)NCCCCCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 2/20 0.59
HDAC3 O15379 11/20 0.57
HDAC1 Q13547 10/20 0.57
NR1H4 Q96RI1 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL3053461 1.00 MAPK1 (0.59) MAPK1ALDH1A1HDAC3HDAC1NR1H4
SCHEMBL31661694 1.00 MAPK1 (0.59) MAPK1ALDH1A1HDAC3HDAC1NR1H4
SCHEMBL4955604 0.98 MAPK1 (0.57) MAPK1ALDH1A1HDAC3HDAC1NR1H4
SCHEMBL4953682 0.94 MEN1 (0.57) ALDH1A1NR1H4KDM4EHPGD
SCHEMBL31267470 0.91 ALDH1A1 (0.62) MAPK1ALDH1A1HDAC3HDAC1KDM4E
SCHEMBL3688021 0.91 ALDH1A1 (0.62) MAPK1ALDH1A1HDAC3HDAC1KDM4E
Octanedioate SCHEMBL15255207 0.89 ALDH1A1 (0.49) MAPK1ALDH1A1HDAC3HDAC1KDM4E
SCHEMBL4955428 0.87 ALDH1A1 (0.59) MAPK1ALDH1A1KDM4EHPGD
SCHEMBL866062 0.85 ALDH1A1 (0.64) MAPK1ALDH1A1HDAC3HDAC1KDM4E
SCHEMBL19077949 0.84 MAPK1 (0.63) MAPK1ALDH1A1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107636007-A Beta hairpin peptide mimics 波利弗尔股份公司 2018-01-26 CN disclosed
CN-107001425-A Beta hairpin peptide mimics 波利弗尔股份公司 2017-08-01 CN disclosed
CN-107001426-A Beta-hairpin peptidomimetics 波利弗尔股份公司 2017-08-01 CN disclosed
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 CN disclosed
CN-105849119-A Beta-hairpin peptidomimetics 波利弗尔股份公司 2016-08-10 CN disclosed
CN-105324390-A Beta-hairpin peptidomimetics POLYPHOR AG 2016-02-10 CN disclosed
US-8969026-B2 Polymeric reverse micelles as selective extraction agents and related methods of MALDI-MS analysis UNIVERSITY OF MASSACHUSETTS (US) 2015-03-03 US disclosed
US-8969026-B2 Polymeric reverse micelles as selective extraction agents and related methods of MALDI-MS analysis UNIVERSITY OF MASSACHUSETTS (US) 2015-03-03 US disclosed
US-20120183983-A1 Polymeric Reverse Micelles as Selective Extraction Agents and Related Methods of MALDI-MS Analysis UNIVERSITY OF MASSACHUSETTS 2012-07-19 US disclosed
US-20120183983-A1 Polymeric Reverse Micelles as Selective Extraction Agents and Related Methods of MALDI-MS Analysis UNIVERSITY OF MASSACHUSETTS 2012-07-19 US disclosed
WO-2009023158-A2 POLYMERIC REVERSE MICELLES AS SELECTIVE EXTRACTION AGENTS AND RELATED METHODS OF MALDI-MS ANALYSIS UNIVERSITY OF MASSACHUSETTS (US) 2009-02-19 WO disclosed
US-7462735-B2 Amino acid diamides in non α position which are useful as adjuvants for administration of biological active agents LABORATORIOS FARMACEUTICOS ROVI, S.A. (ES) 2008-12-09 US disclosed
EP-1781807-B1 FLUORESCENCE-BASED KINETIC DETERMINATION OF TRANSGLUTAMINASE ACTIVITY N ZYME BIOTEC GMBH (DE) 2008-12-03 EP disclosed
US-20070191302-A1 AMINO ACID DIAMIDES IN NON ALPHA POSITION WHICH ARE USEFUL AS ADJUVANTS FOR ADMINISTRATION OF BIOLOGICAL ACTIVE AGENTS LABORATORIOS FARMACEUTICOS ROVI S.A. (ES) 2007-08-16 US disclosed
EP-1652836-B1 AMINO ACID DIAMIDES IN NON ALPHA POSITION USEFUL AS ADJUVANTS FOR THE ADMINISTRATION OF ACTIVE BIOLOGICAL AGENTS ROVI LAB FARMACEUT SA (ES) 2007-07-18 EP disclosed
EP-1652836-A1 AMINO ACID DIAMIDES IN NON ALPHA POSITION USEFUL AS ADJUVANTS FOR THE ADMINISTRATION OF ACTIVE BIOLOGICAL AGENTS LABORATORIOS FARMACEUTICOS ROVI, S.A. (ES) 2006-05-03 EP disclosed
EP-1626095-A1 Fluorescence-based kinetic determination of transglutaminase activity N-Zyme BioTec GmbH (DE) 2006-02-15 EP 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 (1 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-20070191302-A1 AMINO ACID DIAMIDES IN NON ALPHA POSITION WHICH ARE USEFUL AS ADJUVANTS FOR ADMINISTRATION OF BIOLOGICAL ACTIVE AGENTS NOS1, NOS3, ARG1 MAPK1 273/4885ALDH1A1 1095/4885HDAC3 4007/4885

“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.