SCHEMBL4178339

SCHEMBL4178339

CC(C)(C)OC(=O)Cc1ccc(O)cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
MTNR1A P48039 5/20 0.38
MTNR1B P49286 5/20 0.38
DEGS1 O15121 2/20 0.37
MIF P14174 1/20 0.35
RIPK1 Q13546 1/20 0.34
RIPK3 Q9Y572 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
SCHEMBL19079047 0.86 ESR1 (0.39) ESR1ESR2KDM4EALDH1A1CCNB2
SCHEMBL13948751 0.85 KDM4E (0.41) KDM4EALDH1A1CCNB2CCNE2CDK1
SCHEMBL15174151 0.84 MTNR1A (0.39) KDM4EALDH1A1CCNB2CCNE2CDK1
SCHEMBL16749998 0.84 DGAT1 (0.40) KDM4EALDH1A1CCNB2CCNE2CDK1
SCHEMBL30027206 0.84 DGAT1 (0.40) KDM4EALDH1A1CCNB2CCNE2CDK1
SCHEMBL27891065 0.83 CACNA1I (0.41) KDM4EALDH1A1CCNB2CCNE2CDK1
SCHEMBL4837238 0.81 MTNR1A (0.39) KDM4EALDH1A1CCNB2CCNE2CDK1
SCHEMBL15710323 0.81 HSP90AB1 (0.47) ESR1ESR2KDM4EALDH1A1DEGS1
SCHEMBL30106072 0.81 HSP90AB1 (0.47) ESR1ESR2KDM4EALDH1A1DEGS1
SCHEMBL4841414 0.80 CACNA1H (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233950-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090076075-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-1994023-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
EP-1994024-A2 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099323-A2 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
WO-2007099317-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 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 (2 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-20090076075-A1 QUINOLINE DERIVATIVES RECQL, NQO2, NRAS ESR1 2284/4885ESR2 2794/4885KDM4E 2898/4885
US-20090233950-A1 QUINAZOLINE DERIVATIVES NQO2, CCNI, F12 ESR1 3173/4885ESR2 3946/4885KDM4E 2707/4885

“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.