SCHEMBL5469910

SCHEMBL5469910

CC(C)(C)CC(=O)[C@H]1CCCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PREP P48147 1/20 0.42
▸ ACE P12821 6/20 0.40
▸ REN P00797 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PEPD P12955 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL1272125 0.77 MC3R (0.38) LMNAHSD17B10CYP2C19ACEREN
SCHEMBL29182008 0.77 HSD17B10 (0.40) LMNAHSD17B10CYP2C19PREPACE
SCHEMBL13980014 0.77 CYP2C19 (0.37) LMNAHSD17B10CYP2C19PREPACE
SCHEMBL3847396 0.77 ACE (0.41) LMNAHSD17B10CYP2C19ACEREN
SCHEMBL25305712 0.77 ACE (0.41) LMNAHSD17B10CYP2C19ACEREN
SCHEMBL338313 0.77 HSD17B10 (0.46) LMNAHSD17B10CYP2C19ACEREN
SCHEMBL28737989 0.77 DPP4 (0.43) LMNAHSD17B10CYP2C19PREPACE
SCHEMBL15229046 0.77 ACE (0.41) LMNAHSD17B10CYP2C19ACEREN
SCHEMBL18444823 0.77 ACE (0.41) LMNAHSD17B10CYP2C19ACEREN
SCHEMBL2236647 0.77 ACE (0.41) LMNAHSD17B10CYP2C19ACEREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015743-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2007-01-18 — — 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-20070015743-A1 Quinazoline derivatives as antitumor agents ERBB2, ABL1, EGFR LMNA 3500/4885HSD17B10 4096/4885CYP2C19 730/4885

“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.

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