SCHEMBL14966822

SCHEMBL14966822

CC(C)(C)OC(=O)c1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
NFKB1 P19838 1/20 0.54
NPY1R P25929 1/20 0.54
NFKB2 Q00653 1/20 0.54
KMT2A Q03164 1/20 0.54
RELA Q04206 1/20 0.54
TNKS O95271 4/20 0.51
MAOB P27338 2/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
ALOX5 P09917 1/20 0.48
P2RY14 Q15391 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
CA12 O43570 1/20 0.45

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
SCHEMBL3981377 0.85 TNKS (0.69) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2274762 0.81 HDAC2 (0.48) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7739519 0.81 TNKS (0.71) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3694272 0.80 NPC1 (0.67) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL980203 0.78 TNKS (0.66) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2272548 0.78 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2276764 0.77 HDAC2 (0.54) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7734676 0.77 MEN1 (0.58) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL29926214 0.77 MAPT (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28512382 0.76 NPC1 (0.58) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2

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 1213/4885KDM4E 76/4885NPC1 4022/4885

“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.