SCHEMBL14966727

SCHEMBL14966727

CC(C)COC(C)c1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
NR1H4 Q96RI1 2/20 0.44
ANPEP P15144 1/20 0.43
CASR P41180 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
RARB P10826 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2A1 P68400 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXRG P48443 1/20 0.40
GRIA4 P48058 1/20 0.40

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
SCHEMBL9330541 0.85 MAPT (0.62) MAPK1RXRARXRBMAPTKMT2A
SCHEMBL9330537 0.85 MAPT (0.62) MAPK1RXRARXRBMAPTKMT2A
SCHEMBL1842790 0.84 RXRA (0.47) MAPK1RXRARXRBMAPTKMT2A
SCHEMBL14966912 0.83 TSHR (0.48) MAPTKMT2ATSHRALDH1A1CA1
SCHEMBL1749896 0.81 TP53 (0.46) MAPK1RXRARXRBMAPTKMT2A
SCHEMBL11168893 0.79 MAPK1 (0.45) MAPK1RXRARXRBMAPTKMT2A
SCHEMBL9257016 0.79 TP53 (0.57) MAPK1RXRARXRBKMT2ATP53
SCHEMBL14092930 0.78 RXRA (0.43) MAPK1RXRARXRBMAPTKMT2A
SCHEMBL27717399 0.78 NR4A1 (0.54) RXRARXRBKMT2ARXRGSRD5A2
SCHEMBL3316321 0.78 RXRA (0.43) MAPK1RXRARXRBMAPTKMT2A

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 MAPK1 4242/4885RXRA 1639/4885RXRB 1485/4885
US-20140315949-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 MAPK1 4242/4885RXRA 1639/4885RXRB 1485/4885

“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.