SCHEMBL3390208

SCHEMBL3390208

COC(=O)[C@H](C)N(C(C)=O)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PLA2G1B P04054 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SLC6A3 Q01959 5/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 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
SCHEMBL1471742 0.84 MEN1 (0.43) MTNR1AMTNR1BMEN1KMT2APPARG
SCHEMBL16728481 0.84 MEN1 (0.43) MTNR1AMTNR1BMEN1KMT2APPARG
SCHEMBL7776950 0.84 MEN1 (0.43) MTNR1AMTNR1BMEN1KMT2APPARG
SCHEMBL27702986 0.84 MEN1 (0.43) MTNR1AMTNR1BMEN1KMT2APPARG
SCHEMBL6139041 0.83 MEN1 (0.42) RECQLMTNR1AMTNR1BMEN1KMT2A
SCHEMBL27597529 0.83 MEN1 (0.42) RECQLMTNR1AMTNR1BMEN1KMT2A
SCHEMBL8153694 0.82 KMT2A (0.50) MEN1KMT2APLA2G1BHTTNPSR1
SCHEMBL27373933 0.82 KMT2A (0.50) MEN1KMT2APLA2G1BHTTNPSR1
SCHEMBL6138885 0.74 NPSR1 (0.44) MTNR1AMTNR1BMEN1KMT2APLA2G1B
SCHEMBL11153728 0.74 MEN1 (0.50) MTNR1AMTNR1BMEN1KMT2APLA2G1B

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 RECQL 3473/4885MTNR1A 3383/4885MTNR1B 4566/4885

“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.