SCHEMBL6525612

SCHEMBL6525612

CC(=O)CC(O[Si](C)(C)C(C)(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 5/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.37
ALB P02768 1/20 0.37
PCSK7 Q16549 1/20 0.37
HSD17B10 Q99714 1/20 0.37
VKORC1 Q9BQB6 1/20 0.37
MEN1 O00255 1/20 0.37
BRD4 O60885 1/20 0.36
GSR P00390 1/20 0.36
PABPC1 P11940 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE4D Q08499 1/20 0.34

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
SCHEMBL12535883 0.87 STAT3 (0.37) L3MBTL1ALDH1A1MAPT
SCHEMBL7453168 0.87 STAT3 (0.37) L3MBTL1ALDH1A1MAPT
SCHEMBL16263403 0.85 KCNA5 (0.42) ATML3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL1931051 0.85 CYP1A2 (0.38) CYP2C9ALDH1A1MAPTKMT2AMEN1
SCHEMBL1931055 0.85 CYP1A2 (0.38) CYP2C9ALDH1A1MAPTKMT2AMEN1
SCHEMBL16503522 0.83 TSHR (0.44) ATML3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL16503510 0.83 TSHR (0.44) ATML3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL14984000 0.81 GSR (0.44) ATML3MBTL1GSR
SCHEMBL1739510 0.81 GSR (0.44) ATML3MBTL1GSR
SCHEMBL8405099 0.81 GSR (0.44) ATML3MBTL1GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263774-B2 Quinoline-oxazoline compounds and their use in oxidation synthesis UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-09-11 US disclosed
US-20110054176-A1 QUINOLINE-OXAZOLINE COMPOUNDS AND THEIR USE IN OXIDATION SYNTHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-03 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-20110054176-A1 QUINOLINE-OXAZOLINE COMPOUNDS AND THEIR USE IN OXIDATION SYNTHESIS XDH, OXA1L, AOX1 ATM 1843/4885L3MBTL1 2813/4885CYP2C9 263/4885

“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.