SCHEMBL642798

SCHEMBL642798

CCOC(CCNC(C)=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 1/20 0.40
PAOX Q6QHF9 3/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 2/20 0.38
PIK3CG P48736 1/20 0.38
EPHX1 P07099 2/20 0.38
ATM Q13315 1/20 0.36
ADRA1A P35348 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
ACACB O00763 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1547403 0.88 KDM4E (0.50) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL3867671 0.83 EPHX1 (0.38) MTNR1AMTNR1BTSHRALDH1A1KMT2A
SCHEMBL9397628 0.82 ALDH1A1 (0.44) MTNR1AMTNR1BTSHRALDH1A1KMT2A
SCHEMBL20337911 0.81 KMT2A (0.35) ALDH1A1KMT2APIK3CGEPHX1ATM
SCHEMBL14240967 0.80 EPHX1 (0.36) MTNR1AMTNR1BALDH1A1KMT2APIK3CG
SCHEMBL8378421 0.80 KMT2A (0.41) KMT2AEPHX1L3MBTL1
SCHEMBL9137116 0.80 KDM4E (0.45) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL10314187 0.78 EPHX1 (0.46) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL28025797 0.78 KDM4E (0.46) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL23222376 0.77 MTNR1A (0.38) MTNR1AMTNR1BKDM4EMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117487043-A Aldehyde hyaluronic acid derivative and preparation method thereof 中国科学院长春应用化学研究所 2024-02-02 CN disclosed
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2013-07-04 US disclosed
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8404684-B2 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2013-03-26 US disclosed
US-8404684-B2 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2013-03-26 US disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
EP-2157091-A1 Inhibitors of phosphatidylinositol 3-kinase Novartis AG (CH) 2010-02-24 EP disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 US disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 US disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
US-20050143472-A1 Novel treatment for pathologies associated with oxidative damage REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2005-06-30 US disclosed
WO-2003068167-A2 NOVEL TREATMENT FOR PATHOLOGIES ASSOCIATED WITH OXIDATIVE DAMAGE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-08-21 WO disclosed
US-4002742-A 1-N-alkyl-4,6-di-(aminoglycosyl)-1,3-diaminocyclitols, methods for their manufacture, methods for their use as antibacterial agents, and compositions useful therefor SCHERING CORPORATION (US) 1977-01-11 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-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase PIK3CA, PIP4K2C, PIP4K2B MTNR1A 3114/4885MTNR1B 2722/4885KDM4E 1826/4885
US-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 MTNR1A 178/4885MTNR1B 285/4885KDM4E 2751/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C MTNR1A 3240/4885MTNR1B 2964/4885KDM4E 1819/4885

“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.