SCHEMBL14833892

SCHEMBL14833892

CC(=O)OCCc1cccc2cc[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
BCHE P06276 4/20 0.43
PDPK1 O15530 1/20 0.43
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
AHR P35869 1/20 0.38
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL5925736 0.92 KEAP1 (0.42) KEAP1BCHEPDPK1MAPK8MAPK9
SCHEMBL6030528 0.80 BCHE (0.40) KEAP1BCHEPDPK1MAPK8MAPK9
SCHEMBL6029685 0.77 CYP4F2 (0.55) KEAP1BCHEPDPK1MAPK8MAPK9
SCHEMBL2265462 0.77 NR3C1 (0.47) KEAP1BCHEPDPK1MAPK8MAPK9
SCHEMBL6989892 0.75 CDYL (0.53) KDM4ERAD52
SCHEMBL2262208 0.74 AHR (0.47) KEAP1BCHEPDPK1MAPK8MAPK9
SCHEMBL1452618 0.74 AHR (0.47) KEAP1BCHEPDPK1HTR2AHTR2C
SCHEMBL28597311 0.73 MAPK8 (0.49) KEAP1BCHEPDPK1MAPK8MAPK9
SCHEMBL21274659 0.73 BCHE (0.50) KEAP1BCHEPDPK1MAPK8MAPK9
SCHEMBL593512 0.73 AHR (0.50) KEAP1BCHEPDPK1BACE1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012411-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-18 US disclosed
US-20220106321-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-04-07 US disclosed
US-11279704-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-03-22 US disclosed
EP-3617192-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2020-03-04 EP disclosed
US-10550123-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2020-02-04 US disclosed
US-20190337954-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2019-11-07 US disclosed
EP-2760831-B1 VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2019-08-07 EP disclosed
EP-2760831-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2014-08-06 EP disclosed
US-20140213586-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-07-31 US disclosed
WO-2013045516-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-04-04 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 (6 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-20140213586-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 KEAP1 300/4885BCHE 3689/4885PDPK1 2077/4885
US-11279704-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 KEAP1 300/4885BCHE 3689/4885PDPK1 2077/4885
US-20190337954-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 KEAP1 300/4885BCHE 3689/4885PDPK1 2077/4885
US-10550123-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 KEAP1 300/4885BCHE 3689/4885PDPK1 2077/4885
US-20220106321-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 KEAP1 300/4885BCHE 3689/4885PDPK1 2077/4885
US-12012411-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 KEAP1 300/4885BCHE 3689/4885PDPK1 2077/4885

“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.