SCHEMBL1126816

SCHEMBL1126816

O=C(O)Cn1ccc(C2CCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.46
EPHX2 P34913 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
ACMSD Q8TDX5 2/20 0.35
KMO O15229 1/20 0.35
MITF O75030 1/20 0.35
KLF5 Q13887 1/20 0.35
ESR2 Q92731 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1126971 0.81 KDM4E (0.39) ALDH1A1NPC1USP2HPGDKDM4E
SCHEMBL28336521 0.72 ACMSD (0.42) HAO1ALDH1A1ACMSDKMOKDM4E
SCHEMBL9192984 0.68 AKR1B1 (0.51) AKR1B1ALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL14865350 0.67 AKR1B1 (0.55) AKR1B1ALDH1A1HPGDKDM4EHTT
SCHEMBL19992802 0.67 AKR1B1 (0.55) AKR1B1ALDH1A1KDM4EKMT2APOLB
SCHEMBL23213554 0.66 NPC1 (0.44) EPHX2ALDH1A1NPC1HTTKMT2A
SCHEMBL8018764 0.66 AKR1B1 (0.45) AKR1B1ALDH1A1KDM4EHIF1A
SCHEMBL7202138 0.66 SLC18A3 (0.62) ALDH1A1KMT2ASLC18A3SIGMAR1
SCHEMBL9700040 0.65 TYR (0.58) AKR1B1ALDH1A1KDM4E
SCHEMBL1126991 0.65 AKR1B1 (0.61) AKR1B1ALDH1A1NPC1HPGDKDM4E

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 AKR1B1 48/4885EPHX2 4421/4885HAO1 1114/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 AKR1B1 48/4885EPHX2 4421/4885HAO1 1114/4885

“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.