SCHEMBL68952

SCHEMBL68952

COC(=O)c1ccncc1C(=O)OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.70
ALDH1A1 P00352 3/20 0.70
GLA P06280 2/20 0.70
GAA P10253 2/20 0.70
LMNA P02545 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
KMT2A Q03164 1/20 0.47
CYP46A1 Q9Y6A2 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD17B10 Q99714 3/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
NCOA1 Q15788 1/20 0.45
RCE1 Q9Y256 1/20 0.45

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
SCHEMBL29416299 1.00 KDM4E (0.70) KDM4EALDH1A1GLAGAALMNA
SCHEMBL2120360 0.90 ALDH1A1 (0.64) KDM4EALDH1A1GLAGAALMNA
SCHEMBL30062430 0.90 KDM4E (0.64) KDM4EALDH1A1GLAGAALMNA
SCHEMBL31039558 0.90 ALDH1A1 (0.64) KDM4EALDH1A1GLAGAALMNA
SCHEMBL27148261 0.90 KDM4E (0.64) KDM4EALDH1A1GLAGAALMNA
SCHEMBL31351667 0.90 KDM4E (0.64) KDM4EALDH1A1GLAGAALMNA
SCHEMBL30181305 0.90 ALDH1A1 (0.64) KDM4EALDH1A1GLAGAALMNA
SCHEMBL3560534 0.90 ALDH1A1 (0.64) KDM4EALDH1A1GLAGAALMNA
SCHEMBL26101589 0.90 KDM4E (0.64) KDM4EALDH1A1GLAGAALMNA
SCHEMBL8872501 0.89 ALDH1A1 (0.67) KDM4EALDH1A1GLAGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
WO-2026107328-A1 AGONISTS OF PARATHYROID HORMONE 1 AND INCRETIN RECEPTORS SEPTERNA, INC. (US) 2026-05-21 WO disclosed
EP-4713319-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF Insilico Medicine IP Limited (HK) 2026-03-25 EP disclosed
US-12570625-B2 3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof NOVARTIS AG (CH) 2026-03-10 US disclosed
EP-4653049-A2 CGRP ANTAGONIST COMPOUNDS Nxera Pharma UK Limited (GB) 2025-11-26 EP disclosed
US-20250340563-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS TAKEDA DEVELOPMENT CENTER AMERICAS, INC. 2025-11-06 US disclosed
EP-3983416-B1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LTD (GB) 2025-09-03 EP disclosed
EP-3983417-B1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LTD (GB) 2025-09-03 EP disclosed
US-12344621-B2 CGRP antagonist compounds NXERA PHARMA UK LIMITED (GB) 2025-07-01 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
EP-2271346-A2 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2011-01-12 EP disclosed
WO-2009120652-A2 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-10-01 WO disclosed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US disclosed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO disclosed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO disclosed
US-4968803-A FLUORINE AS OXIDANT ALLIED-SIGNAL INC. (US) 1990-11-06 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 (4 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-12570625-B2 3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof IKZF1, IKZF2, BCL6 KDM4E 2086/4885ALDH1A1 2574/4885GLA 4060/4885
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 KDM4E 717/4885ALDH1A1 1882/4885GLA 3231/4885
US-20250340563-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS NLRP3, NLRP1, NOD1 KDM4E 2373/4885ALDH1A1 1853/4885GLA 2272/4885
US-12344621-B2 CGRP antagonist compounds CALCRL, CALCR, CALCA KDM4E 4566/4885ALDH1A1 705/4885GLA 1005/4885

“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.