SCHEMBL48167

SCHEMBL48167

CC(C)(C)OC(=O)CCOCCc1ccc2cscc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.37
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
MAOA P21397 1/20 0.35
SLC6A2 P23975 1/20 0.35
RAB9A P51151 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
APP P05067 1/20 0.33
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 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
SCHEMBL632012 0.81 CYP1A2 (0.44) CYP1A2KDM4ENPC1LMNATP53
SCHEMBL48153 0.81 SIGMAR1 (0.49) STING1PDE3BPDE3AP2RY12SIGMAR1
SCHEMBL13225849 0.78 TSHR (0.41) CYP1A2SMN1; SMN2SIGMAR1
SCHEMBL20025317 0.77 PPARA (0.40) STING1MTNR1AMTNR1BNR1H2NR1H3
SCHEMBL20025191 0.77 CYP4A11 (0.46) STING1MTNR1AMTNR1BNR1H2
SCHEMBL18741306 0.77 KCNH2 (0.41) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL13225835 0.76 HDAC1 (0.47) CYP1A2MTNR1AMTNR1B
SCHEMBL18741285 0.76 MTNR1A (0.34) STING1MTNR1AMTNR1BAPPNR1H2
SCHEMBL18761953 0.76 CYP4F2 (0.36) STING1MTNR1AMTNR1BAPPNR1H2
SCHEMBL20025315 0.76 CA1 (0.34) STING1MTNR1AMTNR1BNR1H2NR1H3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-30 US disclosed
US-7468443-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-23 US disclosed
US-20060194781-A1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2006-08-31 US disclosed
US-20050070521-A1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2005-03-31 US disclosed
EP-1437353-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-07-14 EP 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 (3 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-20060194781-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 STING1 4447/4885CYP1A2 4080/4885KDM4E 766/4885
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF AHNAK, NGF, PMP22 STING1 4447/4885CYP1A2 4080/4885KDM4E 766/4885
US-20050070521-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 STING1 4447/4885CYP1A2 4080/4885KDM4E 766/4885

“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.