SCHEMBL5081741

SCHEMBL5081741

N[N]C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
TDP1 Q9NUW8 2/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KMT2A Q03164 1/20 0.55
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
CA12 O43570 2/20 0.53
LMNA P02545 3/20 0.50
HCAR2 Q8TDS4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2111562 0.83 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL602246 0.83 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL602247 0.83 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL1697461 0.82 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL3993457 0.81 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL15235760 0.80 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL966323 0.80 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL17527982 0.80 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL19818226 0.80 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL20153332 0.79 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378729-A Diamide derivatives RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-01-03 US claimed
EP-1462471-B1 Dielectric films and materials therefor DAICEL CHEM (JP) 2008-07-30 EP disclosed
US-RE39744-E1 Adamantane derivatives and process for producing them DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-24 US disclosed
US-20070078256-A1 Prepolymers, prepolymer compositions, high-molecular-weight polymers with pore structure, and dielectric films DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-05 US disclosed
US-7186454-B2 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-06 US disclosed
US-20070032556-A1 Aromatic polyamine derivative DAICEL CHEMICAL INSUSTRIES, LTD. (JP) 2007-02-08 US disclosed
US-20060264667-A1 Adamantanetricarboxylic acid derivatives NAGANO SHINYA 2006-11-23 US disclosed
US-7102027-B2 Adamantanetricarboxylic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-05 US disclosed
EP-1683822-A1 PREPOLYMER, PREPOLYMER COMPOSITION, HIGH MOLECULAR WEIGHT POLYMER HAVING STRUCTURE CONTAINING HOLE AND ELECTRICALLY INSULATING FILM Daicel Chemical Industries, Ltd. (JP) 2006-07-26 EP disclosed
EP-1681284-A1 AROMATIC POLYAMINE DERIVATIVE Daicel Chemical Industries, Ltd. (JP) 2006-07-19 EP disclosed
US-5508382-A SYNTHETIC CALCITONIN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-16 US disclosed
EP-0452514-B1 PEPTIDE AND PROCESS FOR PREPARING CYCLIC PEPTIDE DAICEL CHEM (JP) 1995-07-05 EP disclosed
US-5428129-A Cyclization in presence of an alkali metal salt DAICEL CHEMICAL INDUSTRIES (JP) 1995-06-27 US disclosed
US-4711887-A HYPOTENSIVE AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-08 US disclosed
US-RE32534-E Peptides, process for preparing the same and psychodepressant compositions containing the same AMANO PHARMACEUTICAL CO., LTD. (JP) 1987-10-27 US disclosed
EP-0107860-B1 PEPTIDES, PROCESS FOR PREPARING THE SAME AND PSYCHODEPRESSANT COMPOSITIONS CONTAINING THE SAME AMANO PHARMACEUTICAL CO., LTD. (JP) 1986-09-17 EP disclosed
US-4517180-A SCHIZOPHRENIA AMANO PHARMACEUTICAL CO., LTD (JP) 1985-05-14 US disclosed
EP-0107860-A1 Peptides, process for preparing the same and psychodepressant compositions containing the same AMANO PHARMACEUTICAL CO., LTD. (JP) 1984-05-09 EP disclosed
EP-0092945-A2 Nitrogeneous compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-11-02 EP disclosed
US-4377591-A CARBAPENICILLIN ANTIBIOTICS SANKYO COMPANY, LIMITED (JP) 1983-03-22 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 (2 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-20070032556-A1 Aromatic polyamine derivative SRM, PRMT1, KDM8 ALDH1A1 179/4885TDP1 1132/4885MAPK1 1584/4885
US-20060264667-A1 Adamantanetricarboxylic acid derivatives CA1, HCAR1, ALDH7A1 ALDH1A1 23/4885TDP1 937/4885MAPK1 2026/4885

“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.