SCHEMBL9601970

SCHEMBL9601970

CCOC(=O)CCC(NC(=O)c1ccc(N)cc1)C(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
DHFR P00374 3/20 0.51
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAOA P21397 1/20 0.48
PPID Q08752 2/20 0.47
CYP26A1 O43174 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8320541 1.00 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1143549 1.00 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27584197 0.93 L3MBTL1 (0.65) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11659161 0.90 CA2 (0.51) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8722042 0.90 CA2 (0.50) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16509378 0.89 L3MBTL1 (0.61) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31389164 0.88 L3MBTL1 (0.58) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11631574 0.88 L3MBTL1 (0.67) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11631569 0.88 L3MBTL1 (0.67) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6308156 0.87 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HPGDHSD17B10

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
US-11054430-B2 Compounds and methods for the detection of methotrexate DEFINED DIAGNOSTICS, LLC (US) 2021-07-06 US disclosed
WO-2017106426-A1 FE NANOPARTICLES WITH PPM CONTENTS OF PD, CU AND/OR NI, REACTIONS IN WATER CATALYZED BY THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-22 WO disclosed
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water LIPSHUTZ BRUCE H (US) 2017-06-22 US disclosed
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water LIPSHUTZ BRUCE H (US) 2017-06-22 US disclosed
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water LIPSHUTZ BRUCE H (US) 2017-06-22 US disclosed
CN-101223130-A Glutamate aggrecanase inhibitors WYETH CORP (US) 2008-07-16 CN disclosed
CN-1049215-C Process for preparing benzoquinazoline thymidylate synthase inhibitors WELLOCOME FOUNDATION LTD (GB) 2000-02-09 CN disclosed
US-5236927-A Reduced toxicity; side effect reduction NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1993-08-17 US disclosed
EP-0204529-B1 ANTI-CANCER QUINAZOLINE DERIVATIVES BTG INTERNATIONAL LIMITED (GB) 1993-03-31 EP disclosed
CN-1058208-A PHARMACEUTICAL COMPOUNDS WELLCOME FOUND (GB) 1992-01-29 CN disclosed
EP-0204529-A2 Anti-cancer quinazoline derivatives BTG INTERNATIONAL LIMITED (GB) 1986-12-10 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 (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-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water TPR, SOD1, ZNF207 L3MBTL1 2264/4885KDM4E 1803/4885ALDH1A1 1764/4885
US-11054430-B2 Compounds and methods for the detection of methotrexate MTX2, MTX1, DHFR L3MBTL1 1953/4885KDM4E 3851/4885ALDH1A1 738/4885

“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.