Sugi Predict

Sugi Predict / Compounds / SCHEMBL5661502

SCHEMBL5661502

SCHEMBL5661502

C=Cc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH5A1 P51649 1/20 0.71
▸ ABAT P80404 1/20 0.71
▸ EGFR P00533 2/20 0.59
▸ ALDH1A1 P00352 5/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ GPR35 Q9HC97 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ GSK3B P49841 2/20 0.52
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ MAPT P10636 7/20 0.50
▸ KDM4E B2RXH2 3/20 0.50

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
SCHEMBL13981566 0.85 MAPT (0.59) ALDH5A1ABATEGFRALDH1A1MAPK1
SCHEMBL244093 0.83 ALDH5A1 (1.00) ALDH5A1ABATEGFRALDH1A1MAPK1
SCHEMBL28114911 0.81 ALDH5A1 (0.71) ALDH5A1ABATEGFRALDH1A1MAPK1
SCHEMBL17341954 0.79 ALDH5A1 (0.44) ALDH5A1ABATEGFRALDH1A1MAPK1
SCHEMBL11239202 0.79 EGFR (0.72) ALDH5A1ABATEGFRALDH1A1MAPK1
SCHEMBL11851919 0.79 EGFR (0.72) ALDH5A1ABATEGFRALDH1A1MAPK1
Iodomethane SCHEMBL27504663 0.79 ALDH5A1 (0.90) ALDH5A1ABATEGFRALDH1A1MAPK1
SCHEMBL28601429 0.79 ALDH5A1 (0.67) ALDH5A1ABATEGFRALDH1A1MAPK1
SCHEMBL29737122 0.79 ALDH5A1 (0.67) ALDH5A1ABATEGFRALDH1A1MAPK1
SCHEMBL16954934 0.78 PARP1 (0.49) ALDH5A1ABATEGFRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114709406-B Sulfur-rich copolymer material, lithium sulfur battery positive electrode material, and preparation methods and applications thereof 中国电建集团成都勘测设计研究院有限公司 2023-07-25 — — CN claimed
CN-114709406-A Sulfur-rich copolymer material, lithium-sulfur battery positive electrode material, and preparation methods and applications thereof 中国电建集团成都勘测设计研究院有限公司 2022-07-05 — — CN claimed
JP-60248704-A — — None — — JP disclosed
CN-114709406-B Sulfur-rich copolymer material, lithium sulfur battery positive electrode material, and preparation methods and applications thereof 中国电建集团成都勘测设计研究院有限公司 2023-07-25 — — CN disclosed
CN-114709406-A Sulfur-rich copolymer material, lithium-sulfur battery positive electrode material, and preparation methods and applications thereof 中国电建集团成都勘测设计研究院有限公司 2022-07-05 — — CN disclosed
WO-2007136638-A2 PROSTAGLANDIN TRANSPORTER INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2007-11-29 — — WO disclosed
US-20060047105-A1 Polymer-supported reagent for the preparation of disulfide-bridged peptides PEPTIDES INTERNATIONAL, INC. 2006-03-02 — — US disclosed
WO-2004113389-A2 HIGH CAPACITY POLY(ALKYLENE)GLYCOL BASED AMINO POLYMERS VERSAMATRIX A/S (DK) 2004-12-29 — — WO disclosed
WO-2004099288-A1 POLYETHYLENEIMINE POLYMERS CARLSBERG A/S (DK) 2004-11-18 — — WO disclosed
EP-0996870-B1 IMPROVED DISSOLUTION INHIBITION RESISTS FOR MICROLITHOGRAPHY DU PONT (US) 2004-03-24 — — EP disclosed
US-6319648-B1 USED FOR IMAGING MATERIALS OF SEMICONDUCTOR DEVICE E. I. DU PONT DE NEMOURS AND COMPANY 2001-11-20 — — US disclosed
EP-0996870-A1 IMPROVED DISSOLUTION INHIBITION RESISTS FOR MICROLITHOGRAPHY E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-03 — — EP disclosed
US-5910554-A Highly cross-linked polymeric supports REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1999-06-08 — — US disclosed
WO-1999004319-A1 IMPROVED DISSOLUTION INHIBITION RESISTS FOR MICROLITHOGRAPHY E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-28 — — WO disclosed
US-5656707-A Highly cross-linked polymeric supports REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1997-08-12 — — US disclosed
WO-1997000273-A1 HIGHLY CROSS-LINKED POLYMERIC SUPPORTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1997-01-03 — — WO disclosed
US-5510169-A ACRYLATED BINDER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-04-23 — — US disclosed
JP-S60248704-A PREPARATION OF NOVEL HIGH POLYMER COMPOUND AGENCY OF IND SCIENCE & TECHNOL 1985-12-09 — — JP disclosed
US-4007089-A Method for binding biologically active compounds NELSON RESEARCH & DEVELOPMENT COMPANY (US) 1977-02-08 — — US disclosed
US-3974110-A Modification of polystyrene by Friedel-Crafts reaction with substituted halo ethyl benzenes and haloethylphenols to make supports for solid phase peptide synthesis YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1976-08-10 — — 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 (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-20060047105-A1 Polymer-supported reagent for the preparation of disulfide-bridged peptides GPX4, P4HB, GFER ALDH5A1 458/4885ABAT 397/4885EGFR 382/4885

“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.