SCHEMBL6689864

SCHEMBL6689864

CC(=O)C(C(C)=O)C(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
SRC P12931 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
ALOX5 P09917 1/20 0.42
KMT2A Q03164 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MME P08473 3/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL6159580 0.91 CYP2D6 (0.46) CYP2D6SRCHPGDLMNAMAPK1
SCHEMBL9671856 0.91 CYP2D6 (0.46) CYP2D6SRCHPGDLMNAMAPK1
SCHEMBL6279955 0.88 ALOX5 (0.46) CYP2D6SRCHPGDLMNAALOX5
SCHEMBL3236310 0.85 KMT2A (0.56) LMNAKMT2AMMECYP3A4
SCHEMBL2454614 0.84 CYP2D6 (0.52) CYP2D6SRCHPGDLMNAMAPK1
SCHEMBL4568744 0.82 CYP3A4 (0.49) CYP2D6SRCHPGDLMNAMAPK1
SCHEMBL15342224 0.82 CYP3A4 (0.49) CYP2D6SRCHPGDLMNAMAPK1
SCHEMBL11458679 0.82 MMP8 (0.50) LMNAKMT2ACYP3A4
SCHEMBL28213572 0.80 CYP2D6 (0.43) CYP2D6SRCLMNAMAPK1ALOX5
SCHEMBL14960669 0.80 HPGD (0.47) CYP2D6SRCHPGDLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447246-B2 Method of covalently bonding an organic metal complex to a polymer CYNORA GMBH (DE) 2016-09-20 US disclosed
US-9447245-B2 Cross-linking and stabilization of organic metal complexes in networks CYNORA GMBH (DE) 2016-09-20 US disclosed
US-9447245-B2 Cross-linking and stabilization of organic metal complexes in networks CYNORA GMBH (DE) 2016-09-20 US disclosed
US-9447246-B2 Method of covalently bonding an organic metal complex to a polymer CYNORA GMBH (DE) 2016-09-20 US disclosed
EP-2729506-B1 METHOD FOR COVALENT BINDING OF A METAL COMPOUND TO A POLYMER CYNORA GMBH (DE) 2016-08-10 EP disclosed
EP-2729505-B1 METHOD FOR COVALENT BINDING OF A METAL COMPOUND TO A POLYMER CYNORA GMBH (DE) 2016-03-23 EP disclosed
US-20140142259-A1 METHOD OF COVALENTLY BONDING AN ORGANIC METAL COMPLEX TO A POLYMER CYNORA GMBH (DE) 2014-05-22 US disclosed
US-20140142258-A1 CROSS-LINKING AND STABILIZATION OF ORGANIC METAL COMPLEXES IN NETWORKS CYNORA GMBH (DE) 2014-05-22 US disclosed
US-20140142258-A1 CROSS-LINKING AND STABILIZATION OF ORGANIC METAL COMPLEXES IN NETWORKS CYNORA GMBH (DE) 2014-05-22 US disclosed
US-20140142259-A1 METHOD OF COVALENTLY BONDING AN ORGANIC METAL COMPLEX TO A POLYMER CYNORA GMBH (DE) 2014-05-22 US disclosed
WO-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 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 (2 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-20140142259-A1 METHOD OF COVALENTLY BONDING AN ORGANIC METAL COMPLEX TO A POLYMER PICALM, LIG4, OSTC CYP2D6 894/4885SRC 2577/4885HPGD 1141/4885
US-20140142258-A1 CROSS-LINKING AND STABILIZATION OF ORGANIC METAL COMPLEXES IN NETWORKS SOD1, MTCL3, LIG4 CYP2D6 933/4885SRC 2331/4885HPGD 1385/4885

“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.