SCHEMBL1841981

SCHEMBL1841981

O=C(OCc1cccc(O)c1)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 7/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
CYP2C19 P33261 1/20 0.49
GRIN2B Q13224 2/20 0.45
ALDH1A1 P00352 4/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL22290359 0.84 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16825208 0.84 ENPP2 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30719262 0.84 GRIN2B (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5255119 0.84 SMN1; SMN2 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4717126 0.84 SMN1; SMN2 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7424105 0.83 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1000788 0.83 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL794423 0.82 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6557909 0.82 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4710641 0.82 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192136-B1 OLIGOMERS AND POLYMERS OF CYCLIC IMINO CARBOXYLIC ACIDS WISCONSIN ALUMNI RES FOUND (US) 2011-05-18 EP disclosed
US-7304165-B2 Oligomers and polymers of di-substituted cyclic imino carboxylic acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-6914048-B2 Method for delivery of molecules to intracellular targets WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-07-05 US disclosed
US-20040152133-A1 Oligomers and polymers of di-substituted cyclic imino carboxylic acids GELLMAN SAMUEL H (US) 2004-08-05 US disclosed
US-6727368-B1 PYRROLIDINE-3-CARBOXYLIC ACID MONOMERS; POLYLACTAMS; COMBINATORIAL LIBRARIES WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-04-27 US disclosed
US-6710186-B2 CONFORMATIONALLY-RESTRICTED; ANALOGOUS TO POLY(PROLINE) II HELICAL STRUCTURE WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-03-23 US disclosed
US-20030119189-A1 Method for delivery of molecules to intracellular targets NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-06-26 US disclosed
WO-2003024477-A1 METHOD FOR DELIVERY OF MOLECULES TO INTRACELLULAR TARGETS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2003-03-27 WO disclosed
EP-1192136-A2 OLIGOMERS AND POLYMERS OF CYCLIC IMINO CARBOXYLIC ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2002-04-03 EP disclosed
US-20020032334-A1 Oligomers and polymers of di-substituted cyclic imino carboxylic acids WISCONSIN ALUMNI RESEARCH FOUNDATION 2002-03-14 US disclosed
WO-2000076974-A2 OLIGOMERS AND POLYMERS OF CYCLIC IMINO CARBOXYLIC ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-12-21 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-20020032334-A1 Oligomers and polymers of di-substituted cyclic imino carboxylic acids PCNA, PAICS, INHA MEN1 602/4885KMT2A 4828/4885NPSR1 1610/4885
US-20040152133-A1 Oligomers and polymers of di-substituted cyclic imino carboxylic acids PCNA, PAICS, INHA MEN1 602/4885KMT2A 4828/4885NPSR1 1610/4885
US-20030119189-A1 Method for delivery of molecules to intracellular targets DNPEP, SLC7A1, PHAX MEN1 1251/4885KMT2A 4644/4885NPSR1 514/4885

“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.