SCHEMBL5522638

SCHEMBL5522638

CCC(=O)NCCCCCC(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
ADRA1A P35348 1/20 0.64
PRMT1 Q99873 1/20 0.63
EPHX2 P34913 8/20 0.60
PLA2G2A P14555 1/20 0.58
CASP2 P42575 1/20 0.53
PLA2G4A P47712 1/20 0.53
PPARG P37231 3/20 0.52
PPARD Q03181 3/20 0.52
PPARA Q07869 3/20 0.52
TSHR P16473 2/20 0.52
GPR84 Q9NQS5 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 1/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
TLR2 O60603 1/20 0.52
ESR1 P03372 1/20 0.52

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
SCHEMBL19400289 1.00 MEN1 (0.71) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL20009655 1.00 MEN1 (0.71) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL19400283 1.00 MEN1 (0.71) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL9265462 1.00 MEN1 (0.71) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL45902 0.98 MEN1 (0.74) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL1912627 0.91 MEN1 (0.70) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL11758762 0.87 MEN1 (0.94) MEN1KMT2ACASP2ALDH1A1
SCHEMBL21765846 0.87 MEN1 (0.94) MEN1KMT2ACASP2ALDH1A1
SCHEMBL9259257 0.87 MEN1 (0.94) MEN1KMT2ACASP2ALDH1A1
SCHEMBL9262199 0.86 CASP2 (0.74) MEN1KMT2AADRA1APRMT1EPHX2

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-20070027310-A1 Novel ligands and methods for preparing same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2007-02-01 US claimed
US-20040132981-A1 Novel ligands and methods for preparing same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2004-07-08 US claimed
EP-1289561-A2 LIGAND CONJUGATES AND METHODS FOR PREPARING SAME NATIONAL UNIVERSITY OF SINGAPORE (SG) 2003-03-12 EP claimed
US-20010051348-A1 Novel ligands and methods for preparing same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2001-12-13 US claimed
WO-2001054731-A2 LIGAND CONJUGATES AND METHODS FOR PREPARING SAME NATIONAL UNIVERSITY OF SINGAPORE (SG) 2001-08-02 WO claimed
US-4007266-A Pharmaceutical composition containing vitamin B12, process of making the same and method of treatment CHOAY S.A. (FR) 1977-02-08 US claimed
US-20170049906-A1 TRANSLOCATION OF NON-NATURAL CHEMICAL ENTITIES THROUGH ANTHRAX PROTECTIVE ANTIGEN PORE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-02-23 US disclosed
US-20070027310-A1 Novel ligands and methods for preparing same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2007-02-01 US disclosed
US-7153977-B2 Ligands and methods for preparing same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2006-12-26 US disclosed
US-20040132981-A1 Novel ligands and methods for preparing same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2004-07-08 US disclosed
EP-1289561-A2 LIGAND CONJUGATES AND METHODS FOR PREPARING SAME NATIONAL UNIVERSITY OF SINGAPORE (SG) 2003-03-12 EP disclosed
US-20010051348-A1 Novel ligands and methods for preparing same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2001-12-13 US disclosed
WO-2001054731-A2 LIGAND CONJUGATES AND METHODS FOR PREPARING SAME NATIONAL UNIVERSITY OF SINGAPORE (SG) 2001-08-02 WO disclosed
US-5310905-A Conversion of nylon 6 and/or nylon 6,6 to monomers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-05-10 US disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed
US-4243678-A GASTROINTESTINAL DISORDERS, LIVER DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-01-06 US disclosed
US-4007266-A Pharmaceutical composition containing vitamin B12, process of making the same and method of treatment CHOAY S.A. (FR) 1977-02-08 US disclosed
US-3908018-A Therapeutical and cosmetic composition including N-propionyl-epsilon-amino-caproic acid CHOAY SA 1975-09-23 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 (4 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-20010051348-A1 Novel ligands and methods for preparing same ADGRF1, ADGRE5, TACR2 MEN1 3183/4885KMT2A 4370/4885ADRA1A 442/4885
US-20070027310-A1 Novel ligands and methods for preparing same ADGRF1, ADGRE5, TACR2 MEN1 3183/4885KMT2A 4370/4885ADRA1A 442/4885
US-20040132981-A1 Novel ligands and methods for preparing same ADGRF1, ADGRE5, TACR2 MEN1 3183/4885KMT2A 4370/4885ADRA1A 442/4885
US-20170049906-A1 TRANSLOCATION OF NON-NATURAL CHEMICAL ENTITIES THROUGH ANTHRAX PROTECTIVE ANTIGEN PORE ANTXR2, SLC47A2, SLC47A1 MEN1 2937/4885KMT2A 3925/4885ADRA1A 4384/4885

“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.