SCHEMBL14967433

SCHEMBL14967433

O=C(O)c1ccc2c(c1)CCCC2Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.47
KDM4C Q9H3R0 4/20 0.47
KDM5B Q9UGL1 3/20 0.47
FFAR1 O14842 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SRD5A2 P31213 2/20 0.42
SRD5A1 P18405 1/20 0.42
AKR1C3 P42330 1/20 0.42
KDM1A O60341 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
IDO1 P14902 2/20 0.40
CYP1A2 P05177 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL14969169 0.92 KDM5A (0.46) KDM5AKDM4CKDM5BFFAR1ALDH1A1
SCHEMBL14966432 0.87 FFAR1 (0.46) FFAR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8203404 0.82 ALDH1A1 (0.50) KDM5AKDM4CKDM5BALDH1A1MEN1
SCHEMBL14968941 0.79 FFAR1 (0.44) FFAR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL14968921 0.79 IDO1 (0.43) FFAR1KDM1AIDO1
SCHEMBL17319345 0.79 FFAR1 (0.44) FFAR1IDO1
SCHEMBL17319346 0.78 IDO1 (0.64) FFAR1IDO1HTT
SCHEMBL4337340 0.75 ALDH1A1 (0.56) KDM5AKDM4CKDM5BALDH1A1MEN1
SCHEMBL4337336 0.75 ALDH1A1 (0.56) KDM5AKDM4CKDM5BALDH1A1MEN1
SCHEMBL9966871 0.75 KDM5A (0.55) KDM5AKDM4CKDM5BFFAR1ALDH1A1

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 6 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-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 KDM5A 48/4885KDM4C 82/4885KDM5B 68/4885

“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.