SCHEMBL622754

SCHEMBL622754

COc1cccc(CN)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.66
ALOX5 P09917 1/20 0.59
PTGS2 P35354 1/20 0.59
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
CYP3A4 P08684 2/20 0.57
HPGD P15428 2/20 0.57
ALOX15 P16050 2/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
ALOX12 P18054 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CALM1 P0DP23 1/20 0.56
GAA P10253 4/20 0.51
GFER P55789 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
KLKB1 P03952 1/20 0.49
TLR2 O60603 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
SCHEMBL29500198 1.00 IDO1 (0.66) IDO1ALOX5PTGS2MAPTALDH1A1
Hydrochloric Acid SCHEMBL27792889 0.98 IDO1 (0.69) IDO1ALOX5PTGS2MAPTALDH1A1
Acetic Acid SCHEMBL29739769 0.91 IDO1 (0.57) IDO1ALOX5PTGS2MAPTALDH1A1
Acetic Acid SCHEMBL20596710 0.91 IDO1 (0.57) IDO1ALOX5PTGS2MAPTALDH1A1
SCHEMBL16088316 0.85 TAAR1 (0.67) IDO1ALOX5PTGS2MAPTALDH1A1
SCHEMBL20798298 0.84 CALM1 (0.54) IDO1ALOX5PTGS2MAPTALDH1A1
Hydrochloric Acid SCHEMBL16037890 0.83 IDO1 (0.65) IDO1ALOX5PTGS2MAPTALDH1A1
SCHEMBL9576160 0.82 ALOX5 (0.66) IDO1ALOX5PTGS2MAPTALDH1A1
SCHEMBL786629 0.82 IDO1 (0.44) IDO1ALOX5PTGS2MAPTALDH1A1
SCHEMBL828720 0.82 IDO1 (0.62) IDO1ALOX5PTGS2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3510014-B1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDEHYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING NASH OR ALD METABOLIC TECH INC (US) 2026-04-29 EP disclosed
US-20250360094-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDEHYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING NONALCOHOLIC FATTY LIVER DISEASE (NAFLD), NASH, ALD OR CONDITIONS RELATED TO THE LIVER MTI BIOTECH INC (US) 2025-11-27 US disclosed
US-12383515-B2 Compositions and methods of use of γ-ketoaldehyde scavengers for treating, preventing or improving nonalcoholic fatty liver disease (NAFLD), NASH, ALD or conditions related to the liver MTI BIOTECH, INC. (US) 2025-08-12 US disclosed
CN-119345198-A Compositions comprising gamma-keto aldehyde scavengers and uses thereof 代谢科技有限公司 2025-01-24 CN disclosed
EP-3229771-B1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF UNIV PALACKEHO (CZ) 2024-04-03 EP disclosed
US-20240000726-A1 COMPOUNDS AND METHODS FOR SCAVENGING DICARBONYL ELECTROPHILES VANDERBILT UNIVERSITY 2024-01-04 US disclosed
US-20230364032-A1 USE OF 2-HOBA TO TREAT ATHEROSCLEROSIS VANDERBILT UNIVERSITY 2023-11-16 US disclosed
US-20230355549-A1 METHOD OF PREVENTING KIDNEY INJURY DISRUPTION OF INTESTINAL LYMPHATICS VANDERBILT UNIVERSITY 2023-11-09 US disclosed
US-20230355549-A1 METHOD OF PREVENTING KIDNEY INJURY DISRUPTION OF INTESTINAL LYMPHATICS VANDERBILT UNIVERSITY 2023-11-09 US disclosed
US-20230330049-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER MTI BIOTECH, INC. 2023-10-19 US disclosed
CN-1556808-A Based on N6Heterocyclic compounds of substituted adenine, process for their preparation, their use for the preparation of medicaments, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds �ݿ˹��͹���������ʵ��ֲ��ѧ�� 2004-12-22 CN disclosed
EP-1475094-A1 Pyrazolo[4,3-D]pyrimidines, process for their preparation and methods of use Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2004-11-10 EP disclosed
WO-2004067518-A1 SUBSTITUTED PYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-12 WO disclosed
WO-2004058791-A2 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2004-07-15 WO disclosed
EP-1348707-A1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy Ustav Experimentalni Botaniky AV CR (Institute of Experimental Botany Academy of Sciences of the Czech Republic) (CZ) 2003-10-01 EP disclosed
US-4388250-A FROM HYDROXYBENZALDEHYDE RHONE POULENC INC. (US) 1983-06-14 US disclosed
US-4196291-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1980-04-01 US disclosed
US-4141978-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-02-27 US disclosed
US-4113867-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-09-12 US disclosed
US-4001411-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-01-04 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 (6 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-20240000726-A1 COMPOUNDS AND METHODS FOR SCAVENGING DICARBONYL ELECTROPHILES OGG1, LGMN, GLO1 IDO1 1729/4885ALOX5 490/4885PTGS2 81/4885
US-12383515-B2 Compositions and methods of use of γ-ketoaldehyde scavengers for treating, preventing or improving nonalcoholic fatty liver disease (NAFLD), NASH, ALD or conditions related to the liver AKR7A2, CPT1A, FABP1 IDO1 840/4885ALOX5 177/4885PTGS2 589/4885
US-20230364032-A1 USE OF 2-HOBA TO TREAT ATHEROSCLEROSIS HACL2, APOB, OAT IDO1 4126/4885ALOX5 1258/4885PTGS2 1034/4885
US-20230355549-A1 METHOD OF PREVENTING KIDNEY INJURY DISRUPTION OF INTESTINAL LYMPHATICS FABP2, SI, MLN IDO1 608/4885ALOX5 429/4885PTGS2 98/4885
US-20230330049-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER GGT1, GGH, AKR7A2 IDO1 785/4885ALOX5 351/4885PTGS2 305/4885
US-20250360094-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDEHYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING NONALCOHOLIC FATTY LIVER DISEASE (NAFLD), NASH, ALD OR CONDITIONS RELATED TO THE LIVER CPT1A, AKR7A2, FABP1 IDO1 788/4885ALOX5 169/4885PTGS2 619/4885

“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.