SCHEMBL419725

SCHEMBL419725

O=C(O)CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
RAB9A P51151 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.62
LMNA P02545 2/20 0.62
ALDH1A1 P00352 2/20 0.62
HIF1A Q16665 11/20 0.55
EPAS1 Q99814 6/20 0.52
CASP2 P42575 1/20 0.51
ESR1 P03372 1/20 0.48
MDH1 P40925 1/20 0.47
MDH2 P40926 1/20 0.47
EP300 Q09472 1/20 0.47
GAA P10253 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46

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
SCHEMBL417133 0.93 MEN1 (0.62) MEN1KMT2ARAB9AL3MBTL1LMNA
SCHEMBL11706453 0.92 MEN1 (0.60) MEN1KMT2ARAB9AL3MBTL1LMNA
Hydrochloric Acid SCHEMBL11702177 0.92 MEN1 (0.63) MEN1KMT2ARAB9AL3MBTL1LMNA
SCHEMBL11702997 0.90 MEN1 (0.59) MEN1KMT2ARAB9AL3MBTL1LMNA
SCHEMBL421046 0.85 MEN1 (0.76) MEN1KMT2ARAB9AL3MBTL1LMNA
SCHEMBL1083023 0.85 MEN1 (0.76) MEN1KMT2ARAB9AL3MBTL1LMNA
SCHEMBL11702166 0.84 MEN1 (0.62) MEN1KMT2ARAB9AL3MBTL1LMNA
SCHEMBL11701921 0.84 MEN1 (0.74) MEN1KMT2ARAB9AL3MBTL1LMNA
SCHEMBL11704564 0.80 MEN1 (0.68) MEN1KMT2ARAB9AL3MBTL1LMNA
SCHEMBL11704369 0.79 MEN1 (0.66) MEN1KMT2ARAB9AL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2607348-B1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE INC (JP) 2021-03-17 EP 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
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-9789114-B2 Compounds as HIF-1α inhibitors and manufacturing process thereof DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2017-10-17 US disclosed
US-20160193215-A1 NOVEL COMPOUNDS AS HIF-1 ALPHA INHIBITORS AND MANUFACTURING PROCESS THEREOF DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-07-07 US disclosed
US-9315507-B2 Compounds as HIF-1alphainhibitors and manufacturing process thereof DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-04-19 US disclosed
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO LTD (JP) 2014-10-02 US disclosed
US-20140228357-A1 NOVEL COMPOUNDS AS HIF-1ALPHAINHIBITORS AND MANUFACTURING PROCESS THEREOF DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2014-08-14 US disclosed
US-8785473-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2014-07-22 US disclosed
EP-2607348-A2 Plasminogen Activator Inhibitor-1 Inhibitor Renascience CO., LTD. (JP) 2013-06-26 EP disclosed
US-8394799-B2 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) 2013-03-12 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20160193215-A1 NOVEL COMPOUNDS AS HIF-1 ALPHA INHIBITORS AND MANUFACTURING PROCESS THEREOF HIF1AN, HIF1A, VEGFA MEN1 3424/4885KMT2A 1584/4885RAB9A 1498/4885
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-20140228357-A1 NOVEL COMPOUNDS AS HIF-1ALPHAINHIBITORS AND MANUFACTURING PROCESS THEREOF HIF1AN, HIF1A, VEGFA MEN1 3180/4885KMT2A 1710/4885RAB9A 1362/4885
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 MEN1 844/4885KMT2A 4433/4885RAB9A 2650/4885
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

“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.