SCHEMBL8433355

SCHEMBL8433355

CC(=O)NCC(C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.41
MTNR1B P49286 11/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.34
PAOX Q6QHF9 2/20 0.33
MMP1 P03956 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL24806451 0.80 MTNR1A (0.36) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL6728230 0.79 CYP2D6 (0.64) CYP2D6CYP2C19ALDH1A1MMP1MMP8
SCHEMBL6728224 0.79 CYP2D6 (0.39) CYP2D6CYP2C19MMP1MMP8
SCHEMBL10359470 0.79 MTNR1A (0.41) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL91326 0.78
SCHEMBL10062233 0.78 MTNR1A (0.44) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL3165626 0.77 BCAT2 (0.39) CYP2D6CYP2C19TSHRALDH1A1MMP1
SCHEMBL10308211 0.77 MTNR1A (0.40) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL8433349 0.77 CYP2D6 (0.37) CYP2D6CYP2C19MMP1MMP8
SCHEMBL15730425 0.77 CYP2C19 (0.37) MAPK1CYP2D6CYP2C19TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11638717-B2 Complex of nucleic acid medicine and multibranched lipid SHIONOGI & CO., LTD. (JP) 2023-05-02 US disclosed
US-9809824-B2 CpG oligonucleotide prodrugs, compositions thereof and associated therapeutic methods THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-11-07 US disclosed
WO-2016046755-A1 METHYL-AND TRIFLUOROMETHYL-SUBSTITUTED PYRROLOPYRIDINE MODULATORS OF RORC2 AND METHODS OF USE THEREOF PFIZER INC. (US) 2016-03-31 WO disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 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 (1 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-11638717-B2 Complex of nucleic acid medicine and multibranched lipid FABP1, POLRMT, SREBF1 MTNR1A 2463/4885MTNR1B 2006/4885KDM4E 3088/4885

“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.