SCHEMBL5717859

SCHEMBL5717859

Cc1cc(OCC(N)=O)cc2c1C(=O)CC(C)(C)O2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.66
MAPT P10636 2/20 0.64
MAPK1 P28482 2/20 0.64
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
ALDH1A1 P00352 4/20 0.50
GAA P10253 3/20 0.50
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
MITF O75030 1/20 0.50
NR2F2 P24468 1/20 0.50
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CASP1 P29466 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GLA P06280 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
SCHEMBL5717619 0.89 KDM4E (0.71) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL5188938 0.80 ALDH1A1 (0.65) KDM4EMAPTMAPK1RAB9ANPC1
SCHEMBL10608594 0.79 KDM4E (0.55) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL10402787 0.78 KDM4E (0.54) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL30506293 0.78 MEN1 (0.67) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL20116252 0.78 MEN1 (0.67) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL3030839 0.74 ALDH1A1 (0.74) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL68894 0.73 TSHR (0.60) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL11485231 0.72 KDM4E (0.59) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL5189050 0.72 ALDH1A1 (0.54) KDM4EMAPTMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 KDM4E 1204/4885MAPT 3557/4885MAPK1 3389/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 KDM4E 1204/4885MAPT 3557/4885MAPK1 3389/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 KDM4E 1358/4885MAPT 3349/4885MAPK1 2492/4885

“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.