SCHEMBL15080397

SCHEMBL15080397

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
MMP8 P22894 1/20 0.33
CYP2C19 P33261 1/20 0.31
PIK3CD O00329 1/20 0.30
KDM4E B2RXH2 1/20 0.30
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30

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
SCHEMBL17660546 0.83 ALDH1A1 (0.33) ALDH1A1TDP1
Hydrogen Peroxide SCHEMBL28864226 0.80 CPT2 (0.50) ALDH1A1TDP1MMP8CYP2C19KDM4E
SCHEMBL1067575 0.80 CPT2 (0.50) ALDH1A1TDP1MMP8CYP2C19KDM4E
SCHEMBL6055135 0.78 MMP8 (0.36) ALDH1A1MMP8CYP2C19
SCHEMBL10216230 0.78 MMP8 (0.32) MMP8CYP2C19
SCHEMBL7907381 0.78 KDM4E (0.33) MMP8CYP2C19KDM4E
SCHEMBL2612030 0.78 ALDH1A1 (0.41) ALDH1A1TDP1CYP2C19KDM4EFFAR1
SCHEMBL182348 0.76 MMP8 (0.35) MMP8
SCHEMBL7518619 0.76 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL811747 0.75

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
CN-116751271-A Application of transcription factor OsNAC021 as negative regulation factor in improving content of volatile metabolites of rice 海南大学三亚南繁研究院 2023-09-15 CN disclosed
US-20230183222-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-15 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
US-20170197949-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
US-20160095938-A1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS IMMUNOGEN, INC. 2016-04-07 US disclosed
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES BUSHELL SIMON (US) 2014-10-23 US disclosed
US-20130252883-A1 Macrocycles and Their Uses NOVARTIS AG (CH) 2013-09-26 US disclosed
US-8476224-B2 Macrocycles and their uses NOVARTIS AG (US) 2013-07-02 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 (5 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-20130252883-A1 Macrocycles and Their Uses MRPL21, CLPP, MLEC ALDH1A1 3067/4885TDP1 4364/4885MMP8 18/4885
US-20170197949-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 ALDH1A1 250/4885TDP1 2258/4885MMP8 241/4885
US-20230183222-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 ALDH1A1 250/4885TDP1 2258/4885MMP8 241/4885
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, GOT2 ALDH1A1 353/4885TDP1 1091/4885MMP8 452/4885
US-20160095938-A1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS PCNA, EPCAM, MKI67 ALDH1A1 96/4885TDP1 876/4885MMP8 3149/4885

“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.