SCHEMBL4844916

SCHEMBL4844916

CCOC(=O)/C(O)=C/C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
GLO1 Q04760 1/20 0.48
ALDH1A1 P00352 6/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37

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
SCHEMBL4844923 1.00 NPSR1 (0.48) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL988934 0.98 NPSR1 (0.47) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL988937 0.98 NPSR1 (0.47) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL28134967 0.84 NPSR1 (0.50) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL9806023 0.84 NPSR1 (0.50) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL4205886 0.82 NPSR1 (0.65) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL2288560 0.82 NPSR1 (0.65) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL2288565 0.82 NPSR1 (0.65) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL4841389 0.80 NPSR1 (0.47) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL4841394 0.80 NPSR1 (0.47) NPSR1GLO1ALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-11718612-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-08 US disclosed
US-20220144854-A1 MACROCYCLIC COMPOUNDS ZENO MANAGEMENT, INC. 2022-05-12 US disclosed
US-20180155345-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-06-07 US disclosed
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 US disclosed
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 US disclosed
US-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2016-06-30 US disclosed
US-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2016-06-30 US disclosed
US-9242995-B2 Isoxazolopyridine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20150038502-A1 ISOXAZOLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-02-05 US disclosed
US-20140206684-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20140206684-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-8703777-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2014-04-22 US disclosed
US-8703777-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2014-04-22 US disclosed
US-8273880-B2 Pyrazole compounds with inhibitory activity against ROS kinase KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-09-25 US disclosed
US-20120231385-A1 ELECTROPHOTOGRAPHIC TONER SET KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-09-13 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20110015395-A1 PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-01-20 US disclosed
US-7420087-B2 Method for preparing 4-hydroxyisoleucine diastereoisomers and enantiomers and derivatives thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-09-02 US disclosed
US-20060205817-A1 Method for preparing 4-hydroxyisoleucine diastereoisomers and enantiomers and derivatives thereof UNIVERSITE LOUIS PASTEUR (FR) 2006-09-14 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 (10 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-11718612-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease RIPK1, RIPK2, RIPK4 NPSR1 3509/4885GLO1 4054/4885ALDH1A1 4554/4885
US-20110015395-A1 PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE ROS1, PDPK1, MAP3K19 NPSR1 3629/4885GLO1 1802/4885ALDH1A1 1644/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD NPSR1 4218/4885GLO1 2895/4885ALDH1A1 2457/4885
US-20060205817-A1 Method for preparing 4-hydroxyisoleucine diastereoisomers and enantiomers and derivatives thereof CYP4F11, CYP2F1, CYP2S1 NPSR1 2729/4885GLO1 533/4885ALDH1A1 893/4885
US-20140206684-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A NPSR1 3493/4885GLO1 3753/4885ALDH1A1 3187/4885
US-20220144854-A1 MACROCYCLIC COMPOUNDS MCL1, BCL9, CYC1 NPSR1 4525/4885GLO1 1241/4885ALDH1A1 276/4885
US-20150038502-A1 ISOXAZOLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R NPSR1 12/4885GLO1 4411/4885ALDH1A1 2470/4885
US-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A NPSR1 3493/4885GLO1 3753/4885ALDH1A1 3187/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A NPSR1 4250/4885GLO1 4024/4885ALDH1A1 2827/4885
US-20180155345-A1 sGC STIMULATORS GUCY1B1, GUCY1A1, PRKG1 NPSR1 2507/4885GLO1 1510/4885ALDH1A1 1902/4885

“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.