SCHEMBL14966646

SCHEMBL14966646

Cc1cc(C)c(CNC(=O)c2ccc(Oc3ccccc3)cc2C)c(O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 6/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
MAPK14 Q16539 2/20 0.45
EZH2 Q15910 1/20 0.43
EGLN1 Q9GZT9 2/20 0.42
BBOX1 O75936 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ASPH Q12797 1/20 0.42
KDM8 Q8N371 1/20 0.42
FTO Q9C0B1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTT P42858 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL14967422 0.90 MAPK14 (0.56) KLKB1MAPK14SMN1; SMN2LMNACYP3A4
SCHEMBL14966645 0.90 ALDH1A1 (0.50) KLKB1PPARGPPARDPPARAEZH2
SCHEMBL14966991 0.84 LMNA (0.48) KLKB1SMN1; SMN2LMNA
SCHEMBL14966441 0.83 OPRM1 (0.41) KLKB1EZH2SMN1; SMN2
SCHEMBL14966509 0.83 KLKB1 (0.50) KLKB1MAPK14EZH2EGLN1CYP3A4
SCHEMBL14966442 0.83 KLKB1 (0.41) KLKB1PPARGPPARASMN1; SMN2LMNA
SCHEMBL14966820 0.82 SMN1; SMN2 (0.47) KLKB1MAPK14SMN1; SMN2LMNACYP3A4
SCHEMBL14966905 0.81 SMN1; SMN2 (0.47) KLKB1SMN1; SMN2HTTHPGD
SCHEMBL14967341 0.80 MEN1 (0.40) KLKB1SMN1; SMN2LMNAHTTHPGD
SCHEMBL14967480 0.80 SMN1; SMN2 (0.43) KLKB1MAPK14SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2014-09-25 US disclosed
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 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-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 KLKB1 4203/4885PPARG 3383/4885PPARD 3479/4885

“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.