SCHEMBL210330

SCHEMBL210330

COc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1OC

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
CYP3A4 P08684 2/20 0.68
KDM4E B2RXH2 1/20 0.68
MAPT P10636 1/20 0.68
ALOX15 P16050 1/20 0.68
PRKDC P78527 1/20 0.68
HSD17B10 Q99714 1/20 0.68
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 3/20 0.52
CYP2D6 P10635 1/20 0.51
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP19A1 P11511 1/20 0.47

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
SCHEMBL29800558 1.00 ALDH1A1 (0.68) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL2087809 0.91 ALDH1A1 (0.63) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL11135612 0.91 ALDH1A1 (0.58) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL10778338 0.90 ALDH1A1 (0.62) ALDH1A1CYP3A4KDM4EMAPTALOX15
1,2-Dimethoxybenzene SCHEMBL20540103 0.89 ALDH1A1 (0.71) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL28545738 0.87 ALDH1A1 (0.59) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL3294994 0.87 ALDH1A1 (0.59) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL11251378 0.87 ALDH1A1 (0.55) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL23357681 0.86 ALDH1A1 (0.54) ALDH1A1CYP3A4KDM4EMAPTALOX15
SCHEMBL3480822 0.85 ALDH1A1 (0.58) ALDH1A1CYP3A4KDM4EMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113549082-B Polyhydroxy compound and preparation method and application thereof 广东工业大学 2022-09-09 CN claimed
CN-113549082-A Polyhydroxy compound and preparation method and application thereof 广东工业大学 2021-10-26 CN claimed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US claimed
US-20250129118-A1 MELANOCORTIN 1 RECEPTOR LIGANDS AND METHODS OF USE H LEE MOFFITT CANCER CT & RES (US) 2025-04-24 US disclosed
US-12173087-B2 Melanocortin 1 receptor ligands and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-12-24 US disclosed
CN-117736168-A Small molecular fluorescent probe for detecting nitric oxide and application thereof 北京大学深圳研究生院 2024-03-22 CN disclosed
CN-117551271-A Polymer and preparation method and application thereof 中国科学院福建物质结构研究所 2024-02-13 CN disclosed
US-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds CARNEGIE MELLON UNIVERSITY (US) 2023-10-03 US disclosed
CN-111699437-B Photopolymer composition 株式会社LG化学 2023-09-12 CN disclosed
WO-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 WO disclosed
WO-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 WO disclosed
US-4713080-A OXIDATIVE COLORING WELLA AKTIENGESELLSCHAFT (DE) 1987-12-15 US disclosed
EP-0241901-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-10-21 EP disclosed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US disclosed
US-4431807-A PARASITICIDES; MALARIA; TISSUE AND BLOOD DISORDERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1984-02-14 US disclosed
EP-0001650-B1 ACYLACETANILIDE COMPOUNDS AND THEIR USE AS YELLOW FORMING COLOUR COUPLERS FOR SILVER HALIDE PHOTOGRAPHY AGFA-GEVAERT N.V. (BE) 1982-07-28 EP disclosed
US-4216320-A Quinoxaline bleach catalysts CIBA-GEIGY AG (CH) 1980-08-05 US disclosed
US-4201584-A Silver halide elements containing yellow forming color couplers for silver halide photography AGFA-GEVAERT N.V. (BE) 1980-05-06 US disclosed
EP-0001650-A1 Acylacetanilide compounds and their use as yellow forming colour couplers for silver halide photography AGFA-GEVAERT N.V. (BE) 1979-05-02 EP disclosed
US-4145217-A DYE BLEACH CATALYST CIBA-GEIGY AG (CH) 1979-03-20 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 (3 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-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds SOD1, ME3, ME2 ALDH1A1 1499/4885CYP3A4 831/4885KDM4E 354/4885
US-12173087-B2 Melanocortin 1 receptor ligands and methods of use MC1R, MC3R, MC5R ALDH1A1 3531/4885CYP3A4 4594/4885KDM4E 3752/4885
US-20250129118-A1 MELANOCORTIN 1 RECEPTOR LIGANDS AND METHODS OF USE MC1R, MC3R, MC5R ALDH1A1 3675/4885CYP3A4 4609/4885KDM4E 3490/4885

“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.