SCHEMBL14966650

SCHEMBL14966650

Cc1cc(C(=O)O)ccc1COc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.61
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
NR4A2 P43354 6/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
NR4A1 P22736 2/20 0.53
NR4A3 Q92570 2/20 0.53
PKM P14618 1/20 0.51
MAP4K4 O95819 1/20 0.51
PTGER4 P35408 2/20 0.50
PTPRC P08575 1/20 0.50
PTPN1 P18031 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.49
CASP6 P55212 1/20 0.49
MAOA P21397 1/20 0.49

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
SCHEMBL14966794 0.87 MAPT (0.57) MAOBLMNAGAAHPGDNPC1
SCHEMBL14966397 0.85 PKM (0.57) GAANPC1RAB9APKMPTGER4
Hydrochloric Acid SCHEMBL15777964 0.83 NR4A2 (0.50) MAOBLMNAGAAHPGDNR4A2
SCHEMBL13951676 0.83 MAOB (0.77) MAOBLMNAGAAHPGDNR4A2
SCHEMBL22887518 0.82 NR4A2 (0.60) NR4A2NPC1RAB9ANR4A1NR4A3
SCHEMBL38659231 0.81 NR4A2 (0.71) MAOBNR4A2NPC1RAB9ANR4A1
SCHEMBL3922745 0.81 NR4A2 (0.48) MAOBLMNAGAAHPGDNR4A2
SCHEMBL7459008 0.81 CYSLTR1 (0.73)
SCHEMBL4449146 0.81 NR4A2 (0.56) LMNAGAAHPGDNR4A2NPC1
Hydrochloric Acid SCHEMBL29931178 0.81 F2 (0.59) MAOB

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 5 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-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 MAOB 288/4885LMNA 3603/4885GAA 748/4885

“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.