SCHEMBL14972192

SCHEMBL14972192

CC(c1ccccc1)n1ccc(C(=O)O)cc1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM5B Q9UGL1 2/20 0.45
KDM5A P29375 1/20 0.45
PTGS2 P35354 3/20 0.43
BRD4 O60885 2/20 0.43
KDM4A O75164 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
TTR P02766 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GABRA1 P14867 1/20 0.39
PTPRC P08575 2/20 0.39
MAPK1 P28482 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MET P08581 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14972269 1.00 ALDH1A1 (0.47) ALDH1A1TDP1KDM5BKDM5APTGS2
SCHEMBL14967035 0.85 MAPK1 (0.50) ALDH1A1TDP1PTGS2BRD4KMT2A
SCHEMBL14972272 0.85 MAPK1 (0.50) ALDH1A1TDP1PTGS2BRD4KMT2A
SCHEMBL4993099 0.84 TTR (0.42) ALDH1A1TDP1KDM5BPTGS2KDM4A
SCHEMBL2590345 0.82 HCAR3 (0.47) ALDH1A1TDP1PTGS2TTRKMT2A
SCHEMBL14605313 0.81 TTR (0.40) ALDH1A1TDP1KDM5BPTGS2KDM4A
SCHEMBL14972220 0.78 MAPT (0.44) ALDH1A1TDP1PTGS2KMT2AMEN1
SCHEMBL4803187 0.78 BRD4 (0.44) ALDH1A1TDP1KDM5BKDM5ABRD4
SCHEMBL14966610 0.76 HCAR3 (0.46) ALDH1A1PTGS2KMT2AMEN1MAPK1
SCHEMBL1504586 0.76 ALDH1A1 (0.48) ALDH1A1TDP1KDM5BKDM5APTGS2

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-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
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 ALDH1A1 1213/4885TDP1 228/4885KDM5B 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.