SCHEMBL3390209

SCHEMBL3390209

COC(=O)[C@](C)(NC(C)=O)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 2/20 0.41
PGR P06401 1/20 0.41
GAA P10253 1/20 0.41
PTGS1 P23219 1/20 0.41
PLK1 P53350 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
SSTR4 P31391 2/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL6139046 0.87 ALDH1A1 (0.44) NPSR1ALDH1A1HSD17B10MAPK1PGR
SCHEMBL1471745 0.85 KDM4E (0.45) ALDH1A1HSD17B10PLK1KDM4EHPGD
SCHEMBL28546281 0.85 KDM4E (0.45) ALDH1A1HSD17B10PLK1KDM4EHPGD
SCHEMBL27702983 0.85 KDM4E (0.45) ALDH1A1HSD17B10PLK1KDM4EHPGD
SCHEMBL24821171 0.80 PLCG1 (0.47) MAPTNPSR1ALDH1A1HSD17B10MAPK1
SCHEMBL10412004 0.78 ALDH1A1 (0.44) MAPTNPSR1ALDH1A1HSD17B10MAPK1
SCHEMBL8563130 0.78 ALDH1A1 (0.44) MAPTNPSR1ALDH1A1HSD17B10MAPK1
SCHEMBL9087816 0.77 ALDH1A1 (0.43) MAPTNPSR1ALDH1A1HSD17B10MAPK1
SCHEMBL27616337 0.77 ALDH1A1 (0.44) MAPTNPSR1ALDH1A1HSD17B10MAPK1
SCHEMBL9088372 0.77 ALDH1A1 (0.43) MAPTNPSR1ALDH1A1HSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758844-B1 PHOSPHINE-PHOSPHORAMIDITE COMPOUNDS JOHNSON MATTHEY PLC (GB) 2010-12-15 EP disclosed
EP-1758844-A1 PHOSPHINE-PHOSPHORAMIDITE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2007-03-07 EP disclosed
WO-2006012045-A1 PHOSPHINE-PHOSPHORAMIDITE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2006-02-02 WO disclosed
EP-1330464-B1 PHOSPHINO-AMINOPHOSPHINES, CATALYST COMPLEXES AND ENANTIOSELECTIVE HYDROGENATION EASTMAN CHEM CO (US) 2005-11-16 EP disclosed
US-6906212-B1 Phosphine-phosphoramidite compounds EASTMAN CHEMICAL COMPANY (US) 2005-06-14 US disclosed
EP-1330464-A2 PHOSPHINO-AMINOPHOSPHINES, CATALYST COMPLEXES AND ENANTIOSELECTIVE HYDROGENATION EASTMAN CHEMICAL COMPANY (US) 2003-07-30 EP disclosed
US-6590115-B2 Useful as ligands for metal catalysts for asymmetric reactions, in particular as rhodium complexes for asymmetric hydrogenation of enamide, itaconate, and alpha-ketoester compounds EASTMAN CHEMICAL COMPANY 2003-07-08 US disclosed
US-20020065417-A1 Useful as ligands for metal catalysts for asymmetric reactions, in particular as rhodium complexes for asymmetric hydrogenation of enamide, itaconate, and alpha-ketoester compounds JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2002-05-30 US disclosed
WO-2002026750-A2 PHOSPHINO-AMINOPHOSPHINES, CATALYST COMPLEXES AND ENANTIOSELECTIVE HYDROGENATION EASTMAN CHEMICAL COMPANY (US) 2002-04-04 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 (1 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-20020065417-A1 Useful as ligands for metal catalysts for asymmetric reactions, in particular as rhodium complexes for asymmetric hydrogenation of enamide, itaconate, and alpha-ketoester compounds NOTUM, WEE1, WEE2 MAPT 4067/4885NPSR1 1660/4885ALDH1A1 4055/4885

“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.