SCHEMBL4575121

SCHEMBL4575121

CCOC(=O)C(C)Oc1ccc(CCNc2ncc(CC)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
GLA P06280 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MAPT P10636 2/20 0.40
ACACB O00763 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRB3 P13945 5/20 0.39

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
SCHEMBL4575358 0.79 PPARA (0.50) KMT2ACYP1A2CYP3A4GLAHDAC3
SCHEMBL14518118 0.78 LMNA (0.64) EPHX2L3MBTL1LMNAKMT2AMAPT
SCHEMBL12611654 0.76 LMNA (0.61) EPHX2L3MBTL1LMNAKMT2AGLA
SCHEMBL31141672 0.75 MAPT (0.56) L3MBTL1LMNAKMT2ACYP1A2CYP3A4
SCHEMBL31141629 0.73 HDAC3 (0.51) LMNAKMT2AHDAC3HDAC1HDAC2
SCHEMBL4575737 0.73 TMEM97 (0.49) L3MBTL1KMT2AHDAC3HDAC1HDAC2
SCHEMBL1453865 0.72 LMNA (0.62) EPHX2L3MBTL1LMNAKMT2ACYP1A2
SCHEMBL9237931 0.71 L3MBTL1 (0.53) EPHX2L3MBTL1LMNAKMT2AMAPT
SCHEMBL31141621 0.71 MEN1 (0.57) LMNAKMT2AHDAC3HDAC1HDAC2
SCHEMBL31141657 0.71 HDAC3 (0.65) KMT2AHDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD EPHX2 2030/4885L3MBTL1 4482/4885LMNA 3670/4885

“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.