SCHEMBL104536

SCHEMBL104536

CC(C)c1cccc(C(=O)N2CCOCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.62
HSP90AA1 P07900 1/20 0.60
HSP90AB1 P08238 1/20 0.60
HPGD P15428 4/20 0.57
KDM4E B2RXH2 1/20 0.57
TSHR P16473 2/20 0.56
RECQL P46063 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
RAB9A P51151 1/20 0.55
PKM P14618 1/20 0.52
ALDH1A1 P00352 2/20 0.52

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
SCHEMBL23308728 0.89 ALDH1A1 (0.58) HPGDKDM4ETSHRKMT2AMEN1
SCHEMBL12545724 0.86 KMT2A (0.64) HPGDTSHRKMT2AMEN1ALDH1A1
SCHEMBL10168906 0.86 KMT2A (0.64) L3MBTL1HPGDTSHRKMT2AMEN1
SCHEMBL12569940 0.86 L3MBTL1 (0.56) L3MBTL1HSP90AA1HSP90AB1HPGDKDM4E
SCHEMBL24721343 0.85 HPGD (0.61) L3MBTL1HSP90AA1HSP90AB1HPGDKMT2A
SCHEMBL12545870 0.85 HPGD (0.65) L3MBTL1HPGDTSHRKMT2AMEN1
SCHEMBL18713705 0.85 L3MBTL1 (0.58) L3MBTL1HSP90AA1HSP90AB1HPGDKDM4E
SCHEMBL14200335 0.84 HSP90AA1 (0.58) L3MBTL1HSP90AA1HSP90AB1HPGDKDM4E
SCHEMBL10720509 0.84 L3MBTL1 (0.71) L3MBTL1HPGDKDM4ETSHRRECQL
SCHEMBL14441172 0.84 MGLL (0.57) L3MBTL1HPGDTSHRKMT2AMEN1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-11649218-B2 C-Abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-05-16 US disclosed
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2021-07-29 US disclosed
US-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-06-24 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
EP-1551804-B1 SUBSTITUTED 1,4-DI-PIPERIDIN-4-YL-PIPERAZINE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2008-12-24 EP disclosed
US-7410970-B2 Substituted 1,4,-di-piperidin-4-yl-piperazine derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-12 US disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 WO disclosed
US-20070219228-A1 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-20 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 (10 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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP L3MBTL1 2247/4885HSP90AA1 1463/4885HSP90AB1 1429/4885
US-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 L3MBTL1 4396/4885HSP90AA1 3753/4885HSP90AB1 3776/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 L3MBTL1 3452/4885HSP90AA1 1183/4885HSP90AB1 1148/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 L3MBTL1 3452/4885HSP90AA1 1183/4885HSP90AB1 1148/4885
US-11649218-B2 C-Abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same ABL1, ABL2, MUSK L3MBTL1 106/4885HSP90AA1 1537/4885HSP90AB1 1808/4885
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 L3MBTL1 4396/4885HSP90AA1 3753/4885HSP90AB1 3776/4885
US-20070219228-A1 Aryl substituted imidazonaphthyridines IL2, IRF3, EIF2AK2 L3MBTL1 3174/4885HSP90AA1 1694/4885HSP90AB1 1957/4885
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 L3MBTL1 3452/4885HSP90AA1 1183/4885HSP90AB1 1148/4885
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS L3MBTL1 2296/4885HSP90AA1 308/4885HSP90AB1 299/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS L3MBTL1 3616/4885HSP90AA1 2252/4885HSP90AB1 2019/4885

“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.