SCHEMBL1081402

SCHEMBL1081402

C=CCc1ccc(C(=O)O)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.47
GAA P10253 9/20 0.47
ALDH1A1 P00352 8/20 0.47
MAPT P10636 7/20 0.47
HPGD P15428 4/20 0.47
THRB P10828 3/20 0.47
GFER P55789 2/20 0.47
HTT P42858 2/20 0.47
PLEC Q15149 1/20 0.47
CDC25B P30305 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.42
POLB P06746 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 2/20 0.42
PTGER4 P35408 1/20 0.42
NR4A1 P22736 1/20 0.42
NPC1 O15118 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
SCHEMBL7058901 0.85 ALDH1A1 (0.45) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL3131960 0.82 GAA (0.61) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL30269683 0.82 GAA (0.61) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL6477662 0.81 POLB (0.53) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL6449728 0.81 KDM4E (0.44) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL7510413 0.81 KDM4E (0.50) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL3842724 0.81 KDM4E (0.50) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL11045821 0.80 TTR (0.42) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL15515059 0.79 KDM4E (0.49) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL18422047 0.79 KDM4E (0.49) KDM4EGAAALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110060043-A1 INHIBITORS OF CELL PROLIFERATION AND USES THEREOF EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2011-03-10 US disclosed
EP-2268613-A2 INHIBITORS OF CELL PROLIFERATION AND USES THEREOF EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2011-01-05 EP disclosed
WO-2009106361-A2 INHIBITORS OF CELL PROLIFERATION AND USES THEREOF EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2009-09-03 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-20110060043-A1 INHIBITORS OF CELL PROLIFERATION AND USES THEREOF MKI67, CDKN1A, CCNI KDM4E 1696/4885GAA 982/4885ALDH1A1 2365/4885

“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.