SCHEMBL421046

SCHEMBL421046

O=C(O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
RAB9A P51151 1/20 0.76
HIF1A Q16665 14/20 0.60
EPAS1 Q99814 6/20 0.60
CASP2 P42575 1/20 0.60
LMNA P02545 2/20 0.58
ALDH1A1 P00352 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MDH2 P40926 2/20 0.55
MDH1 P40925 1/20 0.55
EP300 Q09472 1/20 0.55

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
SCHEMBL1083023 1.00 MEN1 (0.76) MEN1KMT2ARAB9AHIF1AEPAS1
SCHEMBL16158225 0.86 MEN1 (0.74) MEN1KMT2ARAB9AHIF1AEPAS1
SCHEMBL419725 0.85 MEN1 (0.63) MEN1KMT2ARAB9AHIF1AEPAS1
SCHEMBL417133 0.84 MEN1 (0.62) MEN1KMT2ARAB9AHIF1AEPAS1
SCHEMBL25860073 0.83 MEN1 (0.54) MEN1KMT2ARAB9AHIF1AEPAS1
SCHEMBL417009 0.82 RAB9A (0.53) MEN1KMT2ARAB9AHIF1AEPAS1
Hydrochloric Acid SCHEMBL11702177 0.82 MEN1 (0.63) MEN1KMT2ARAB9AHIF1AEPAS1
SCHEMBL11706453 0.82 MEN1 (0.60) MEN1KMT2ARAB9AHIF1AEPAS1
SCHEMBL14829104 0.82 MEN1 (0.68) MEN1KMT2ARAB9AHIF1AEPAS1
SCHEMBL14829261 0.81 MEN1 (0.67) MEN1KMT2ARAB9AHIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3933835-A ANTIALLERGENS, HYPOLIPIDAEMIC CIBA-GEIGY CORPORATION (US) 1976-01-20 US claimed
US-12630497-B2 Compound having malate dehydrogenase inhibitory activity and pharmaceutical composition for preventing or treating cancer comprising same as active ingredient DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2026-05-19 US disclosed
CN-117843590-A 3-amino-4- (piperazin-1-yl) benzamide derivative, pharmaceutical composition containing same, and preparation method and application thereof 中国药科大学 2024-04-09 CN disclosed
EP-2607348-B1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE INC (JP) 2021-03-17 EP disclosed
CN-110776892-A Microemulsion neutral blocking remover 西安中孚凯宏石油科技有限责任公司 2020-02-11 CN disclosed
US-20200031764-A1 NOVEL COMPOUND HAVING MALATE DEHYDROGENASE INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2020-01-30 US disclosed
US-20180356421-A9 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same UNIV YALE (US) 2018-12-13 US disclosed
US-10145848-B2 Small-molecule hydrophobic tagging of fusion proteins and induced degradation of same YALE UNIVERSITY (US) 2018-12-04 US disclosed
WO-2018164549-A1 NOVEL COMPOUND HAVING MALATE DEHYDROGENASE INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT 동국대학교 산학협력단 2018-09-13 WO disclosed
US-9862684-B2 Modulation of K2P channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-01-09 US disclosed
WO-2012078559-A2 SMALL-MOLECULE HYDROPHOBIC TAGGING OF FUSION PROTEINS AND INDUCED DEGRADATION OF SAME YALE UNIVERSITY (US) 2012-06-14 WO disclosed
WO-2012053768-A2 ARYLOXYPHENOXYACETYL-BASED COMPOUND HAVING HIF-1 INHIBITION ACTIVITY, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-26 WO disclosed
EP-2415755-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Renascience CO., LTD. (JP) 2012-02-08 EP disclosed
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE CO., LTD. (JP) 2012-01-26 US disclosed
WO-2010095041-A2 COMPOSITIONS, METHODS, AND KITS FOR TREATING INFLUENZA VIRAL INFECTIONS EXCRX (SINGAPORE) PTE.LTD. (SG) 2010-08-26 WO disclosed
US-20100172844-A1 ALBUMIN BINDING MOLECULES AND USES THEREOF PHILOCHEM AG (CH) 2010-07-08 US disclosed
US-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-12-10 US disclosed
WO-2008004798-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-01-10 WO disclosed
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases COMBINATORX, INC. 2006-11-30 US disclosed
WO-2006119295-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 WO 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 (8 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-20200031764-A1 NOVEL COMPOUND HAVING MALATE DEHYDROGENASE INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT MDH2, MDH1, ALDH5A1 MEN1 1274/4885KMT2A 1497/4885RAB9A 2374/4885
US-20180356421-A9 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same HSP90B1, LAMP2, PSMG3 MEN1 2899/4885KMT2A 3767/4885RAB9A 976/4885
US-12630497-B2 Compound having malate dehydrogenase inhibitory activity and pharmaceutical composition for preventing or treating cancer comprising same as active ingredient MDH2, MDH1, ME2 MEN1 1609/4885KMT2A 658/4885RAB9A 2748/4885
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT MEN1 3151/4885KMT2A 2118/4885RAB9A 2181/4885
US-10145848-B2 Small-molecule hydrophobic tagging of fusion proteins and induced degradation of same HSP90B1, LAMP2, PSMG3 MEN1 2899/4885KMT2A 3767/4885RAB9A 976/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 MEN1 844/4885KMT2A 4433/4885RAB9A 2650/4885
US-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT HIF1AN, HIF1A, VHL MEN1 3620/4885KMT2A 1390/4885RAB9A 884/4885
US-20100172844-A1 ALBUMIN BINDING MOLECULES AND USES THEREOF ALB, FABP1, FABP2 MEN1 4531/4885KMT2A 4806/4885RAB9A 2964/4885

“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.