SCHEMBL5565180

SCHEMBL5565180

CC(C)(C)C(=O)OCn1cnc2ccc(O)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.43
LMNA P02545 3/20 0.43
MCL1 Q07820 1/20 0.43
HDAC6 Q9UBN7 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
SCD O00767 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MMP13 P45452 1/20 0.39
RECQL P46063 1/20 0.38
MAPK10 P53779 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL5500566 0.90 ESR1 (0.47) TNFLMNAHDAC6NPSR1POLB
SCHEMBL9601170 0.88 TRPA1 (0.47) TNFLMNAMCL1HDAC6NPSR1
SCHEMBL13646422 0.85 TNF (0.56) TNFLMNAMCL1HDAC6NPSR1
SCHEMBL9252072 0.85 TNF (0.43) TNFLMNAMCL1HDAC6SCD
SCHEMBL9253194 0.85 LMNA (0.43) TNFLMNAMCL1HDAC6SCD
SCHEMBL6589975 0.84 SMN1; SMN2 (0.53) LMNANPSR1POLBGAAALDH1A1
SCHEMBL666304 0.80 HDAC6 (0.54) TNFHDAC6NPSR1POLBGAA
SCHEMBL12388859 0.79 TNF (0.42) TNFLMNAMCL1HDAC6NPSR1
SCHEMBL9366964 0.77 MMP13 (0.52) POLBMMP13RECQLMAPK10SMN1; SMN2
SCHEMBL5493928 0.77 PRKCA (0.46) LMNAHDAC6NPSR1GAASCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-08 US disclosed
EP-1664028-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026151-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 WO 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-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ABL1, ERBB2, LCK TNF 3699/4885LMNA 4401/4885MCL1 182/4885

“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.