SCHEMBL2946573

SCHEMBL2946573

CCCCCCCCCCCCCCCc1cccc(OC)c1C(=O)Cl

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.77
ALOX5 P09917 1/20 0.60
PTGS2 P35354 1/20 0.60
PPARG P37231 2/20 0.58
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
BID P55957 3/20 0.54
MCL1 Q07820 3/20 0.54
BCL2L1 Q07817 2/20 0.54
BAK1 Q16611 2/20 0.54
KAT8 Q9H7Z6 2/20 0.54
SAE1 Q9UBE0 2/20 0.54
EP300 Q09472 1/20 0.54
KAT2A Q92830 1/20 0.54
KAT2B Q92831 1/20 0.54
KAT5 Q92993 1/20 0.54
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
PLK1 P53350 1/20 0.48
ELANE P08246 1/20 0.48

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
SCHEMBL2939773 0.87 PPARA (0.59) PPARAALOX5PTGS2PPARGBID
SCHEMBL18030237 0.87 PPARA (1.00) PPARAALOX5PTGS2PPARGHDAC1
SCHEMBL2940835 0.87 PPARA (1.00) PPARAALOX5PTGS2PPARGHDAC1
SCHEMBL2946720 0.86 PPARA (0.58) PPARAALOX5PTGS2PPARGHDAC6
SCHEMBL20124014 0.86 PPARA (0.77) PPARAALOX5PTGS2PPARGHDAC1
SCHEMBL2945568 0.86 PPARA (0.77) PPARAALOX5PTGS2PPARGHDAC1
SCHEMBL2945954 0.85 PPARA (0.56) PPARAALOX5PTGS2PPARGBID
SCHEMBL4294270 0.83 PPARA (0.78) PPARAALOX5PTGS2PPARGHDAC1
SCHEMBL17746094 0.83 CA12 (0.53) PPARAALOX5PTGS2HDAC1HDAC6
SCHEMBL8100825 0.81 BID (0.57) PPARAPPARGBIDMCL1BCL2L1

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-7750047-B2 Modulators (inhibitors/activators) of histone acetyltransferases JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2010-07-06 US disclosed
US-20090076155-A1 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES KUNDU TAPAS KUMAR 2009-03-19 US disclosed
US-7332629-B2 Modulators (inhibitors/activators) of histone acetyltransferases JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2008-02-19 US disclosed
US-20060167107-A1 Modulators (inhibitors/ activators) of histone acetyltransferases JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2006-07-27 US disclosed
EP-1590318-A2 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES Jawaharlal Nehru Centre For Advanced Scientific Research (IN) 2005-11-02 EP disclosed
WO-2004053140-A2 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2004-06-24 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-20060167107-A1 Modulators (inhibitors/ activators) of histone acetyltransferases EP300, HDAC1, KAT2A PPARA 1402/4885ALOX5 1470/4885PTGS2 2193/4885
US-20090076155-A1 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES KAT2A, HDAC5, HAT1 PPARA 164/4885ALOX5 2324/4885PTGS2 2750/4885

“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.