SCHEMBL17358987

SCHEMBL17358987

CCOC(C)(OCC)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
PKM P14618 3/20 0.33
MMP8 P22894 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 4/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.31
KCNN4 O15554 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
POLB P06746 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
SCHEMBL10011399 0.83 DGAT1 (0.32) DGAT1CYP4F2CYP4A11
SCHEMBL6507050 0.80 CYP4F2 (0.48) CYP4F2CYP4A11MGAMGAASI
SCHEMBL445544 0.80 DGAT1 (0.39) DGAT1CYP4F2CYP4A11MGAMGAA
SCHEMBL27665143 0.78 DGAT1 (0.43) DGAT1CYP4F2CYP4A11ALDH1A1CA1
SCHEMBL19331262 0.78 CYP4F2 (0.34) CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL15066109 0.78 CYP4F2 (0.38) CYP4F2CYP4A11PKMALDH1A1THRB
SCHEMBL17353528 0.77 MGAM (0.36) CYP4F2CYP4A11MGAMGAASI
SCHEMBL15951338 0.77 MGAM (0.36) DGAT1MGAMGAASIMGAM2
SCHEMBL27972010 0.76 DGAT1 (0.37) DGAT1CYP4F2CYP4A11MGAMGAA
SCHEMBL4174244 0.75 CYP4F2 (0.44) CYP4F2CYP4A11MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108997340-B Synthetic method of 5-bromo-7-azaindole 山东轩德医药科技有限公司 2020-03-20 CN claimed
CN-108997340-B Synthetic method of 5-bromo-7-azaindole 山东轩德医药科技有限公司 2020-03-20 CN disclosed
US-9493461-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-20150368246-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2015-12-24 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 (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-20150368246-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C HCCS, HAVCR2, CYP7A1 DGAT1 1129/4885CYP4F2 443/4885CYP4A11 588/4885

“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.