SCHEMBL1990193

SCHEMBL1990193

COC(=O)Cn1ccc(C(C)C)c1C(=O)C(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 2/20 0.33
ATM Q13315 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KAT2B Q92831 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
APOBEC3A P31941 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL1126629 0.81 ACACB (0.37) KDM4EALDH1A1MAPTGAAATM
SCHEMBL15162305 0.76 KDM4E (0.46) KDM4EALDH1A1MAPTGAASMN1; SMN2
SCHEMBL1126556 0.74 PTGDR (0.39) KDM4EALDH1A1GAASMN1; SMN2POLB
SCHEMBL1127446 0.72 MIF (0.38) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL1126823 0.71 KDM4E (0.41) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL15468956 0.70 KDM4E (0.46) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL15469110 0.67 MAPT (0.43) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL1127844 0.62 KDM4E (0.41) KDM4EALDH1A1MAPTGAASMN1; SMN2
SCHEMBL667245 0.62 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL15468963 0.62 MAPT (0.44) KDM4EALDH1A1MAPTRAB9AGAA

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 KDM4E 1706/4885ALDH1A1 219/4885MAPT 1696/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KDM4E 1706/4885ALDH1A1 219/4885MAPT 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.