SCHEMBL1126748

SCHEMBL1126748

CCOC(=O)c1[nH]c(CC)c(C(=O)OCC)c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
HPGD P15428 5/20 0.56
MAPT P10636 4/20 0.56
KDM4E B2RXH2 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
GAA P10253 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
CYP1A2 P05177 1/20 0.54
XBP1 P17861 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
CSF1R P07333 1/20 0.51
HTT P42858 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
GRM6 O15303 1/20 0.50

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
SCHEMBL1127449 0.89 ALDH1A1 (0.53) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL1126472 0.86 MAPT (0.50) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL1126706 0.86 ALDH1A1 (0.62) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL1126493 0.81 MAPT (0.53) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL95163 0.81 ALDH1A1 (0.62) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL29757646 0.81 RAB9A (0.56) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL24584793 0.80 ALDH1A1 (0.56) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL8740907 0.79 RAB9A (0.58) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL21480114 0.78 CYP1A2 (0.58) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL31567903 0.77 LMNA (0.72) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885HPGD 2971/4885MAPT 1696/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885HPGD 2971/4885MAPT 1696/4885

“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.