SCHEMBL14966664

SCHEMBL14966664

O=C(O)c1ccc(C2CCCO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 9/20 0.47
PRKAA1 Q13131 9/20 0.47
PRKAB1 Q9Y478 9/20 0.47
PRKAA2 P54646 8/20 0.47
PRKAB2 O43741 7/20 0.47
PRKAG3 Q9UGI9 7/20 0.47
PRKAG2 Q9UGJ0 7/20 0.47
HNF4A P41235 2/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HCAR3 P49019 1/20 0.43
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL730751 0.95 PRKAG1 (0.48) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL25680334 0.91 TSHR (0.48) HNF4AHPGDTP53TSHRMEN1
SCHEMBL18394292 0.84 KMT2A (0.54) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL19662088 0.82 KCNH2 (0.50) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL23662444 0.80 NPC1 (0.58) HNF4AHPGDTP53TSHRKMT2A
SCHEMBL13374166 0.79 CYP2C9 (0.49) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL4444258 0.79 TSHR (0.54) HPGDTP53TSHRALDH1A1
SCHEMBL6421056 0.78 TSHR (0.46) HNF4APOLBHPGDTP53TSHR
SCHEMBL6866533 0.77 ESR2 (0.45) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2
SCHEMBL7189606 0.77 PRKAG1 (0.43) PRKAG1PRKAA1PRKAB1PRKAA2PRKAB2

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 PRKAG1 386/4885PRKAA1 758/4885PRKAB1 512/4885

“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.