SCHEMBL14966801

SCHEMBL14966801

C=C(C)c1ccc(C(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
SLC7A5 Q01650 1/20 0.36
SORT1 Q99523 1/20 0.36
ELANE P08246 1/20 0.36
HTR7 P34969 1/20 0.35
KDM4E B2RXH2 1/20 0.34
EGFR P00533 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SRD5A1 P18405 1/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL14721706 0.87 CA12 (0.40) CA12CA1CA2CA9CA14
SCHEMBL15920616 0.84 SORT1 (0.42) CA12CA1CA2CA9CA14
SCHEMBL14966802 0.84 STAT3 (0.39) CA12CA1CA2CA9CA14
SCHEMBL14785529 0.83 MYC (0.44) CA12CA1CA2CA9CA14
SCHEMBL25143536 0.82 KDM4E (0.51) CA12CA1CA2CA9CA14
SCHEMBL14785200 0.82 CA1 (0.42) CA12CA1CA2CA9CA14
SCHEMBL31665103 0.82 KDM4E (0.51) CA12CA1CA2CA9CA14
SCHEMBL2011456 0.82 CA1 (0.42) CA12CA1CA2CA9CA14
SCHEMBL14966738 0.82 ALDH1A1 (0.41) CA12CA1CA2CA9CA14
SCHEMBL1432130 0.81 KDM4E (0.50) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409865-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation_Pharmaceuticals, Inc. (US) 2016-08-09 US disclosed
US-9409865-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation_Pharmaceuticals, Inc. (US) 2016-08-09 US disclosed
US-9409865-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation_Pharmaceuticals, Inc. (US) 2016-08-09 US disclosed
US-20150315148-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-11-05 US disclosed
US-20150315148-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-11-05 US disclosed
US-20150315148-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-11-05 US disclosed
US-9051269-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-06-09 US disclosed
US-9051269-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-06-09 US disclosed
US-9051269-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-06-09 US disclosed
US-20140315949-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-20140315949-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-20140315949-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
EP-2780013-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075084-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
WO-2013075084-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 (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-20150315148-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 CA12 3783/4885CA1 4159/4885CA2 4016/4885
US-20140315949-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 CA12 3783/4885CA1 4159/4885CA2 4016/4885

“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.