SCHEMBL1127449

SCHEMBL1127449

CCCc1[nH]c(C(=O)OCC)c(-c2ccccc2)c1C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 5/20 0.53
HPGD P15428 4/20 0.53
KDM4E B2RXH2 4/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
GAA P10253 2/20 0.53
CYP1A2 P05177 1/20 0.52
XBP1 P17861 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CSF1R P07333 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
GRM6 O15303 1/20 0.48

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
SCHEMBL1126748 0.89 ALDH1A1 (0.56) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL1126472 0.89 MAPT (0.50) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL1126706 0.83 ALDH1A1 (0.62) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL31567894 0.83 ALDH1A1 (0.58) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL8886057 0.82 CSF1R (0.53) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL24584793 0.81 ALDH1A1 (0.56) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL1126493 0.79 MAPT (0.53) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL95163 0.79 ALDH1A1 (0.62) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL29757646 0.78 RAB9A (0.56) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL8885867 0.78 ALOX5 (0.49) ALDH1A1MAPTHPGDKDM4ELMNA

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 219/4885MAPT 1696/4885HPGD 2971/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885MAPT 1696/4885HPGD 2971/4885

“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.