SCHEMBL14966754

SCHEMBL14966754

CC(C)(C)OC(=O)c1ccc(C2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC1 Q13547 1/20 0.51
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 3/20 0.50
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
HAO1 Q9UJM8 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
DEGS1 O15121 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 1/20 0.42
HTT P42858 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL20437077 0.93 CA12 (0.47) HDAC8HDAC6HDAC1ALDH1A1SMN1; SMN2
SCHEMBL29098494 0.86 HTR2C (0.45) ALDH1A1SMN1; SMN2MAPTCA12CA1
SCHEMBL32677493 0.86 CA12 (0.46) HDAC8HDAC6HDAC1ALDH1A1SMN1; SMN2
SCHEMBL32677494 0.86 CA12 (0.46) HDAC8HDAC6HDAC1ALDH1A1SMN1; SMN2
SCHEMBL20046737 0.83 ESR2 (0.51) ALDH1A1SMN1; SMN2MAPTCA12CA1
SCHEMBL4055692 0.82 CYP2C9 (0.66) HDAC8HDAC6HDAC1ALDH1A1SMN1; SMN2
SCHEMBL9990024 0.82 NAMPT (0.47) MAPTCA12CA1CA2CA9
SCHEMBL4055689 0.82 CYP2C9 (0.66) HDAC8HDAC6HDAC1ALDH1A1SMN1; SMN2
SCHEMBL24293935 0.81 ESR2 (0.42) ALDH1A1SMN1; SMN2MAPTCA12CA1
SCHEMBL32677481 0.81 KDM1A (0.51) GAANFKB1NFKB2KMT2ARELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022074391-A1 COMPOUNDS INHIBITORS OF METTL3 STORM THERAPEUTICS LIMITED (GB) 2022-04-14 WO 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-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 HDAC8 149/4885HDAC6 424/4885HDAC1 141/4885

“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.