SCHEMBL4179852

SCHEMBL4179852

CCn1cc(C(=O)O)c(=O)c2ccc(OCCN)cc21.[Na]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
HPGD P15428 5/20 0.58
HSD17B10 Q99714 5/20 0.58
ALDH1A1 P00352 4/20 0.58
TSHR P16473 3/20 0.58
RAB9A P51151 1/20 0.58
TDP1 Q9NUW8 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
APEX1 P27695 1/20 0.49
LMNA P02545 5/20 0.48
HTT P42858 4/20 0.48
DRD3 P35462 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ABCC4 O15439 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
POLB P06746 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL5680266 0.99 KDM4E (0.59) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL4179844 0.98 KDM4E (0.58) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL4906790 0.92 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL3983028 0.90 KDM4E (0.72) KDM4EHPGDHSD17B10ALDH1A1TSHR
Hydrochloric Acid SCHEMBL4280638 0.89 KDM4E (0.71) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL4179848 0.88 KDM4E (0.48) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL4176913 0.87 LMNA (0.56) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL14022612 0.84 KDM4E (0.67) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL4903449 0.84 KDM4E (0.55) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL11240434 0.83 KDM4E (0.59) KDM4EHPGDHSD17B10ALDH1A1TSHR

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-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20070213283-A1 Macrolides substituted at the 4\"-position GLAXO GROUP LIMITED (GB) 2007-09-13 US disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO disclosed
EP-1625137-A1 MACROLIDES SUBSTITUTED AT THE 4''-POSITION GLAXO GROUP LIMITED (GB) 2006-02-15 EP disclosed
WO-2004101585-A1 MACROLIDES SUBSTITUDED AT THE 4'-POSITION GLAXO GROUP LIMITED (GB) 2004-11-25 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 (2 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-20070213283-A1 Macrolides substituted at the 4\"-position IL4, CYP51A1, IL17A KDM4E 1543/4885HPGD 2689/4885HSD17B10 305/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 KDM4E 3897/4885HPGD 2617/4885HSD17B10 300/4885

“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.