SCHEMBL578933

SCHEMBL578933

O=C(O)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
TDP1 Q9NUW8 3/20 0.66
CYP3A4 P08684 2/20 0.66
ALOX15 P16050 1/20 0.66
GPR35 Q9HC97 2/20 0.58
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 2/20 0.55
ESR2 Q92731 1/20 0.55
KDM4E B2RXH2 1/20 0.55
PTPN1 P18031 1/20 0.55
TSHR P16473 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA12 O43570 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
TP53 P04637 2/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL28281676 0.98 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4ALOX15GPR35
Thiophene SCHEMBL28772829 0.90 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15GPR35
SCHEMBL6850686 0.86 HNF4A (0.64) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL10082315 0.85 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4ALOX15GPR35
SCHEMBL129889 0.85 ALDH1A1 (0.69) ALDH1A1TDP1CYP3A4ALOX15GPR35
SCHEMBL30322798 0.85 ALDH1A1 (0.69) ALDH1A1TDP1CYP3A4ALOX15GPR35
SCHEMBL260006 0.84 ALDH1A1 (0.70) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL7221802 0.83 GPR35 (0.56) ALDH1A1TDP1CYP3A4ALOX15GPR35
SCHEMBL8410965 0.83 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4ALOX15GPR35
SCHEMBL6393919 0.83 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4ALOX15GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092029-A1 LIGAND-ENABLED SCALABLE C-H HYDROXYLATION OF BENZOIC AND PHENYLACETIC ACIDS AT ROOM TEMPERATURE SCRIPPS RESEARCH INST (US) 2026-04-02 US claimed
EP-4584236-A1 LIGAND-ENABLED SCALABLE C-H HYDROXYLATION OF BENZOIC AND PHENYLACETIC ACIDS AT ROOM TEMPERATURE The Scripps Research Institute (US) 2025-07-16 EP claimed
US-20250214921-A1 METHOD FOR PRODUCING CYCLIC DIKETONE COMPOUND KAO CORPORATION (JP) 2025-07-03 US claimed
CN-118880486-B Cool polyester fiber and preparation method thereof 江苏恒科新材料有限公司 2025-06-24 CN claimed
CN-119613346-A Method for preparing 5-bromopyrimidine 上海沃缨生物科技有限公司 2025-03-14 CN claimed
EP-4501896-A1 METHOD FOR PRODUCING CYCLIC DIKETONE COMPOUND Kao Corporation (JP) 2025-02-05 EP claimed
CN-118973990-A Process for producing cyclic diketone compound 花王株式会社 2024-11-15 CN claimed
CN-118880486-A Cool polyester fiber and preparation method thereof 江苏恒科新材料有限公司 2024-11-01 CN claimed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
CN-114057536-B Low-nitrogen rectification polymerization inhibitor 中国石油化工股份有限公司 2024-04-09 CN claimed
EP-2160103-B1 SWEETENER COMPOSITIONS HAVING ENHANCED SWEETNESS AND IMPROVED TEMPORAL AND/OR FLAVOR PROFILES COCA COLA CO (US) 2015-07-29 EP claimed
US-8709521-B2 Sweetener compositions having enhanced sweetness and improved temporal and/or flavor profiles THE COCA-COLA COMPANY (US) 2014-04-29 US claimed
CN-102919807-A Sweetener compositions having enhanced sweetness and improved temporal and/or flavor profiles COCA COLA CO 2013-02-13 CN claimed
CN-101348444-B Preparation of 2-ethoxy-4-acetaminobenzoic acid methyl ester ZHEJIANG ESIGMA ANIMAL HEALTH CO LTD 2012-01-11 CN claimed
CN-101742924-A Sweetener compositions with enhanced sweetness and improved temporal and/or flavor profile COCA COLA CO 2010-06-16 CN claimed
EP-2160103-A1 SWEETENER COMPOSITIONS HAVING ENHANCED SWEETNESS AND IMPROVED TEMPORAL AND/OR FLAVOR PROFILES THE COCA-COLA COMPANY (US) 2010-03-10 EP claimed
US-20090053378-A1 Sweetener Compositions Having Enhanced Sweetness and Improved Temporal and/or Flavor Profiles THE COCA-COLA COMPANY (US) 2009-02-26 US claimed
CN-101348444-A Preparation of 2-ethoxy-4-acetaminobenzoic acid methyl ester ZHEJIANG HUINENG ANIMALS LEECH (CN) 2009-01-21 CN claimed
WO-2008147726-A1 SWEETENER COMPOSITIONS HAVING ENHANCED SWEETNESS AND IMPROVED TEMPORAL AND/OR FLAVOR PROFILES THE COCA-COLA COMPANY (US) 2008-12-04 WO claimed
US-6734208-B2 ADJUSTMENT TRANSFORMING GROWTH FACTOR CONCENTRATION; ANTIINFLAMMATORY AGENTS NEORX CORPORATION 2004-05-11 US claimed

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-20260092029-A1 LIGAND-ENABLED SCALABLE C-H HYDROXYLATION OF BENZOIC AND PHENYLACETIC ACIDS AT ROOM TEMPERATURE CYP2B6, CYP2A6, CYP1A1 ALDH1A1 137/4885TDP1 641/4885CYP3A4 31/4885
US-20250214921-A1 METHOD FOR PRODUCING CYCLIC DIKETONE COMPOUND HSD17B7, HSD17B12, BCKDK ALDH1A1 699/4885TDP1 4141/4885CYP3A4 200/4885

“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.