SCHEMBL14966645

SCHEMBL14966645

COc1cc(Oc2ccccc2)ccc1C(=O)NCc1c(C)cc(C)nc1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
PPARG P37231 3/20 0.45
PPARD Q03181 3/20 0.45
PPARA Q07869 3/20 0.45
KLKB1 P03952 3/20 0.45
MCHR1 Q99705 3/20 0.44
AKR1C3 P42330 1/20 0.44
MAPK8 P45983 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
EZH2 Q15910 1/20 0.42
GLA P06280 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
SCHEMBL14966646 0.90 KLKB1 (0.46) HPGDHTTPPARGPPARDPPARA
SCHEMBL14967422 0.84 MAPK14 (0.56) ALDH1A1HPGDHTTKLKB1KMT2A
SCHEMBL14966960 0.81 SMN1; SMN2 (0.54) ALDH1A1HPGDHTTPPARGPPARD
SCHEMBL16116669 0.80 EZH2 (0.65) ALDH1A1HPGDGAAPKMHTT
SCHEMBL14966509 0.80 KLKB1 (0.50) ALDH1A1HPGDKLKB1L3MBTL1EZH2
SCHEMBL14966820 0.78 SMN1; SMN2 (0.47) ALDH1A1HPGDPKMHTTKLKB1
SCHEMBL14966991 0.77 LMNA (0.48) ALDH1A1KLKB1KMT2AMEN1MAPT
SCHEMBL14967341 0.77 MEN1 (0.40) ALDH1A1HPGDHTTKLKB1AKR1C3
SCHEMBL14967238 0.76 KLKB1 (0.44) ALDH1A1GAAHTTKLKB1KMT2A
SCHEMBL14966441 0.76 OPRM1 (0.41) ALDH1A1KLKB1KMT2AMEN1EZH2

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 ALDH1A1 1213/4885HPGD 1295/4885GAA 748/4885

“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.