SCHEMBL14966933

SCHEMBL14966933

COC(=O)c1ccc(COc2ccccc2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 3/20 0.52
HPGD P15428 3/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 4/20 0.50
MAPK10 P53779 1/20 0.50
NPC1 O15118 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL8497207 0.87 RXRA (0.59) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL14967140 0.86 MAPT (0.55) KMT2AMEN1SMN1; SMN2KDM4EHPGD
SCHEMBL7881166 0.86 MAOB (0.59) KMT2AMEN1SMN1; SMN2KDM4EHPGD
SCHEMBL2972861 0.84 HPGD (0.54) KMT2AMEN1SMN1; SMN2KDM4EHPGD
SCHEMBL12369490 0.84 HSD17B10 (0.51) KMT2AMEN1SMN1; SMN2KDM4EHPGD
Hydrochloric Acid SCHEMBL4221431 0.83 HSD17B10 (0.50) KMT2AMEN1SMN1; SMN2KDM4EHPGD
SCHEMBL13162022 0.82 CA12 (0.47) KMT2AMEN1SMN1; SMN2KDM4EHPGD
SCHEMBL6162284 0.80 SMN1; SMN2 (0.79) KMT2AMEN1SMN1; SMN2HPGDLMNA
SCHEMBL2270315 0.80 MEN1 (0.51) KMT2AMEN1SMN1; SMN2KDM4EHPGD
SCHEMBL2275889 0.79 KDM4E (0.61) KMT2AMEN1SMN1; SMN2KDM4EHPGD

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 KMT2A 84/4885MEN1 2650/4885SMN1; SMN2 3191/4885

“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.