SCHEMBL1126792

SCHEMBL1126792

COC(=O)Cn1ccc(C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
AKR1B1 P15121 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KCNA5 P22460 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1126836 0.84 PLA2G10 (0.39) RAB9AMAPTKDM4ECA12CA9
SCHEMBL1126620 0.81 AKR1B1 (0.54) RAB9AMAPTTP53SMN1; SMN2KDM4E
SCHEMBL1127493 0.78 CXCR1 (0.40) RAB9AMAPTSMN1; SMN2KDM4ECA12
SCHEMBL21233125 0.77 CA12 (0.42) MAPTGAASMN1; SMN2KDM4ECA12
SCHEMBL22951294 0.77 CA12 (0.40) RAB9AMAPTGAASMN1; SMN2KDM4E
SCHEMBL22290473 0.75 AKR1B1 (0.39) GAASMN1; SMN2KDM4ECA12CA9
SCHEMBL15468963 0.74 MAPT (0.44) RAB9AMAPTGAATP53SMN1; SMN2
SCHEMBL22951295 0.73 CA12 (0.40) RAB9AGAASMN1; SMN2KDM4ECA12
SCHEMBL15469110 0.73 MAPT (0.43) RAB9AMAPTGAASMN1; SMN2KDM4E
SCHEMBL9208101 0.73 KDM4E (0.49) MAPTSMN1; SMN2KDM4EHPGDALDH1A1

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 RAB9A 729/4885MAPT 1696/4885GAA 554/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 RAB9A 729/4885MAPT 1696/4885GAA 554/4885

“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.