SCHEMBL12374993

SCHEMBL12374993

CC(C)(C)CCCn1cccn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
KDM4E B2RXH2 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
FDPS P14324 1/20 0.34
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL855608 0.88 DAO (0.38) DAOKDM4ETLR8TLR7L3MBTL1
SCHEMBL23920175 0.85 DAO (0.37) DAOKDM4ETLR8TLR7L3MBTL1
SCHEMBL7100687 0.80 DAO (0.43) DAOTLR8TLR7L3MBTL1FDPS
SCHEMBL16815831 0.80 DAO (0.39) DAOKDM4ETLR8TLR7L3MBTL1
SCHEMBL23920419 0.79 TLR8 (0.37) DAOKDM4ETLR8TLR7L3MBTL1
SCHEMBL796651 0.79
SCHEMBL23919993 0.78 TLR8 (0.36) DAOKDM4ETLR8TLR7L3MBTL1
Bromide SCHEMBL556174 0.77 TLR8 (0.44) DAOKDM4ETLR8TLR7L3MBTL1
SCHEMBL45207 0.77 TLR8 (0.44) DAOTLR8TLR7L3MBTL1FDPS
Hydrochloric Acid SCHEMBL6736377 0.77 TLR8 (0.44) DAOTLR8TLR7L3MBTL1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-20230183256-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS YUMANITY THERAPEUTICS, INC. 2023-06-15 US disclosed
US-20230183256-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS YUMANITY THERAPEUTICS, INC. 2023-06-15 US disclosed
US-11560385-B2 Proteasome activity enhancing compounds PROTEOSTASIS THERAPEUTICS, INC. (US) 2023-01-24 US disclosed
US-20210317114-A1 SMALL MOLECULE INHIBITORS OF INTERLEUKIN-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2021-10-14 US disclosed
US-20210115057-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PROTEOSTASIS THERAPEUTICS, INC. 2021-04-22 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8426604-B2 Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-04-23 US disclosed
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-18 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US 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 (7 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-20210115057-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PSMG3, PSME3, PSMC4 DAO 2910/4885KDM4E 1276/4885TLR8 4137/4885
US-11560385-B2 Proteasome activity enhancing compounds PSMG3, PSME3, PSMC4 DAO 2910/4885KDM4E 1276/4885TLR8 4137/4885
US-12043621-B2 Small molecule inhibitors of Interleukin-4 IL4, IL2, IL4I1 DAO 2876/4885KDM4E 586/4885TLR8 717/4885
US-20210317114-A1 SMALL MOLECULE INHIBITORS OF INTERLEUKIN-4 IL4, IL2, IL4I1 DAO 2876/4885KDM4E 586/4885TLR8 717/4885
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG DAO 2092/4885KDM4E 2936/4885TLR8 2570/4885
US-20230183256-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PSMG3, PSME3, PSMC4 DAO 2910/4885KDM4E 1276/4885TLR8 4137/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 DAO 910/4885KDM4E 1058/4885TLR8 4294/4885

“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.