SCHEMBL1126971

SCHEMBL1126971

COC(=O)Cn1ccc(C2CCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PDE4B Q07343 1/20 0.35
POLB P06746 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSD11B1 P28845 1/20 0.34
TSHR P16473 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL1126816 0.81 AKR1B1 (0.46) KDM4ESMN1; SMN2NPC1USP2ALDH1A1
SCHEMBL21233125 0.73 CA12 (0.42) KDM4ESMN1; SMN2ALDH1A1POLBHSD17B10
SCHEMBL23797024 0.70 SMN1; SMN2 (0.36) KDM4ESMN1; SMN2PTGDRPTGDR2NPC1
SCHEMBL23213584 0.70 POLB (0.44) KDM4ESMN1; SMN2PTGDRPTGDR2NPC1
SCHEMBL1126792 0.69 RAB9A (0.47) KDM4ESMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL21411396 0.69 CYP4F2 (0.53) SMN1; SMN2NPC1ALDH1A1
SCHEMBL22951294 0.69 CA12 (0.40) KDM4ESMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL26986820 0.69 SLC18A3 (0.58) SMN1; SMN2
SCHEMBL9208101 0.69 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1HPGDPDE4B
SCHEMBL1126796 0.68 CNR2 (0.46) KDM4ESMN1; SMN2NPC1ALDH1A1HPGD

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 1706/4885SMN1; SMN2 2831/4885PTGDR 3438/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KDM4E 1706/4885SMN1; SMN2 2831/4885PTGDR 3438/4885

“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.