SCHEMBL6895534

SCHEMBL6895534

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.59
MMP2 P08253 1/20 0.59
MMP3 P08254 1/20 0.59
MMP9 P14780 1/20 0.59
MMP13 P45452 1/20 0.59
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 1/20 0.39
ALOX15 P16050 1/20 0.38
PRKCA P17252 4/20 0.37
MIF P14174 1/20 0.33
ACHE P22303 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
SCHEMBL6899594 1.00 MMP1 (0.59) MMP1MMP2MMP3MMP9MMP13
SCHEMBL9729964 0.83 MMP1 (0.52) MMP1MMP2MMP3MMP9MMP13
SCHEMBL20697403 0.81 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6892654 0.80 MMP1 (0.59) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18558891 0.79 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP13
SCHEMBL10592718 0.79 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP13
SCHEMBL12526890 0.79 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL15437903 0.79 MGAM (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL127431 0.79 MMP1 (0.58) MMP1MMP2MMP3MMP9MMP13
SCHEMBL685676 0.77 MEN1 (0.38) MMP1MMP2MMP3MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
US-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2022-12-06 US disclosed
US-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-12-31 US disclosed
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2020-11-03 US disclosed
US-10723728-B2 Prodrugs of Nh-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2020-07-28 US disclosed
US-10428058-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2019-10-01 US disclosed
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-19 US disclosed
US-20190276406-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-12 US disclosed
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2019-07-16 US disclosed
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 US disclosed
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 US disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 US disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 US disclosed
US-20100152259-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO INC. (US) 2010-06-17 US disclosed
US-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 US disclosed
US-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 US disclosed
US-20080194660-A1 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. 2008-08-14 US disclosed
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease MERCK SHARP & DOHME CORP. 2007-06-21 US disclosed
US-7205330-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-04-17 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 (14 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-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE MMP1 4383/4885MMP2 3284/4885MMP3 4472/4885
US-20080194660-A1 Angiotensin II receptor antagonists AGTR1, AGTR2, REN MMP1 1532/4885MMP2 954/4885MMP3 1071/4885
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE MMP1 4383/4885MMP2 3284/4885MMP3 4472/4885
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 MMP1 551/4885MMP2 1550/4885MMP3 1775/4885
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease HAVCR2, RNASE1, SERPINB1 MMP1 841/4885MMP2 220/4885MMP3 141/4885
US-10428058-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 MMP1 551/4885MMP2 1550/4885MMP3 1775/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE MMP1 4383/4885MMP2 3284/4885MMP3 4472/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 MMP1 551/4885MMP2 1550/4885MMP3 1775/4885
US-10723728-B2 Prodrugs of Nh-acidic compounds SI, NAAA, NIT2 MMP1 551/4885MMP2 1550/4885MMP3 1775/4885
US-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE MMP1 4383/4885MMP2 3284/4885MMP3 4472/4885
US-20190276406-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE MMP1 4383/4885MMP2 3284/4885MMP3 4472/4885
US-20100152259-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN MMP1 1747/4885MMP2 925/4885MMP3 1317/4885
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE MMP1 4383/4885MMP2 3284/4885MMP3 4472/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE MMP1 4383/4885MMP2 3284/4885MMP3 4472/4885

“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.