SCHEMBL12384259

SCHEMBL12384259

CC(C)(C)CCC(=O)CC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 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
SCHEMBL8898363 0.85 ALDH1A1 (0.32) FFAR1CPT2TDP1HMGCRCHRM1
SCHEMBL8897340 0.84 FFAR1 (0.34) FFAR1CPT2TDP1
SCHEMBL11974544 0.80 KDM4E (0.35) TSHR
SCHEMBL818454 0.78 HMGCR (0.40) FFAR1CPT2TDP1HMGCRCHRM1
SCHEMBL2529497 0.78 HMGCR (0.32) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL7028989 0.78 MAPT (0.36) FFAR1CPT2TDP1TSHR
SCHEMBL20223107 0.78
SCHEMBL2529495 0.78 HMGCR (0.32) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL269663 0.78 CES2 (0.43) TDP1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL12424396 0.78 TDP1 (0.47) TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839657-B2 Ionizable lipids and compositions for nucleic acid delivery WESTGENE BIOPHARMA CO., LTD (CN) 2023-12-12 US disclosed
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-09-07 US disclosed
US-20230250091-A1 ASGPR CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES LYCIA THERAPEUTICS, INC. 2023-08-10 US disclosed
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-07-20 US disclosed
US-20230212143-A9 PRMT5 INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-07-06 US disclosed
US-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates LYCIA THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20170368189-A1 CNP PRODRUGS ASCENDIS PHARMA GROWTH DISORDERS A/S (DK) 2017-12-28 US disclosed
US-20170121366-A1 DIPEPTIDES AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES CORNELL UNIVERSITY 2017-05-04 US disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 US disclosed
US-8785151-B2 Biosynthetically generated pyrroline-carboxy-lysine and site specific protein modifications via chemical derivatization of pyrroline-carboxy-lysine and pyrrolysine residues NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-07-22 US disclosed
US-20140024636-A1 SULFAMIDE DERIVATIVE HAVING AN ADAMANTYL GROUP AND ITS PHARMACEUTICALLY ACCEPTABLE SALT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-01-23 US disclosed
US-20130231260-A1 POLYMER SCAFFOLDS FOR ASSAY APPLICATIONS NVS Technologies, Inc. (US) 2013-09-05 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2011-03-24 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 (13 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-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates M6PR, ASGR1, IGF2R FFAR1 233/4885CPT2 4379/4885TDP1 3842/4885
US-20170121366-A1 DIPEPTIDES AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES DNPEP, PSMB10, DPEP1 FFAR1 4795/4885CPT2 4701/4885TDP1 522/4885
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, FCGR3B, FCGR2A FFAR1 1641/4885CPT2 4461/4885TDP1 2194/4885
US-20140024636-A1 SULFAMIDE DERIVATIVE HAVING AN ADAMANTYL GROUP AND ITS PHARMACEUTICALLY ACCEPTABLE SALT HSD11B1, HSD11B2, HSD3B1 FFAR1 583/4885CPT2 2784/4885TDP1 1390/4885
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP3K19, MAP3K20, MAP3K1 FFAR1 3531/4885CPT2 4541/4885TDP1 1129/4885
US-11839657-B2 Ionizable lipids and compositions for nucleic acid delivery POLRMT, POLN, NPC1L1 FFAR1 1543/4885CPT2 1474/4885TDP1 692/4885
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC FFAR1 2509/4885CPT2 4358/4885TDP1 1348/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 FFAR1 3441/4885CPT2 1916/4885TDP1 910/4885
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES CREBBP, TEAD1, SREBF1 FFAR1 4115/4885CPT2 3318/4885TDP1 1906/4885
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, ASGR1, FCGR3B FFAR1 496/4885CPT2 4150/4885TDP1 1935/4885
US-20230212143-A9 PRMT5 INHIBITOR COMPOUNDS PRMT5, PRMT1, PRMT6 FFAR1 4433/4885CPT2 1679/4885TDP1 782/4885
US-20230250091-A1 ASGPR CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES ASGR1, LAMP2, FCGR2A FFAR1 357/4885CPT2 3334/4885TDP1 3649/4885
US-20170368189-A1 CNP PRODRUGS NPPA, NPR1, NPR3 FFAR1 1199/4885CPT2 3058/4885TDP1 1408/4885

“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.