SCHEMBL4302986

SCHEMBL4302986

CCOC(=O)C(=O)CC(=O)CC(=O)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
PKM P14618 2/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
RAB9A P51151 1/20 0.46
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.44
ALDH3A1 P30838 1/20 0.44
MAPT P10636 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GRM4 Q14833 1/20 0.43

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
SCHEMBL1065225 0.93 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EPKMNPC1MITF
SCHEMBL2544523 0.82 CES2 (0.59) SMN1; SMN2CTNNB1WNT3AALDH1A1L3MBTL1
SCHEMBL33721999 0.82 CES2 (0.59) SMN1; SMN2CTNNB1WNT3AALDH1A1L3MBTL1
SCHEMBL601821 0.81 LMNA (0.54) SMN1; SMN2KDM4EPKMNPC1MITF
SCHEMBL4311423 0.80 MAPT (0.47) SMN1; SMN2NPC1RAB9AALDH1A1POLB
SCHEMBL25832842 0.80 CTNNB1 (0.43) SMN1; SMN2KDM4EPKMNPC1MITF
SCHEMBL2914066 0.79 ALDH1A1 (0.50) SMN1; SMN2KDM4EPKMNPC1MITF
SCHEMBL11087897 0.78 KMT2A (0.51) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL5479636 0.77 CES2 (0.60) SMN1; SMN2KDM4EPKMNPC1MITF
SCHEMBL9333827 0.75 ALDH1A1 (0.49) SMN1; SMN2KDM4EPKMNPC1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
EP-1981635-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS Ciba Holding Inc. (CH) 2008-10-22 EP disclosed
WO-2007090461-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA HOLDING INC. (CH) 2007-08-16 WO disclosed
WO-2007090461-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA HOLDING INC. (CH) 2007-08-16 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-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts MT-CO2, MT-CO1, SOD1 SMN1; SMN2 3056/4885KDM4E 3219/4885PKM 1760/4885

“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.