SCHEMBL4156469

SCHEMBL4156469

CC(C)(C)OC(=O)Cn1cc(O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
PLAA Q9Y263 1/20 0.35
KMT2A Q03164 1/20 0.35
SCD O00767 1/20 0.34
ENPP2 Q13822 1/20 0.34
BCL2L11 O43521 2/20 0.33
BCL2L1 Q07817 2/20 0.33
MCL1 Q07820 2/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL12460160 0.85 ALPI (0.47) KDM4EALDH1A1HDAC3HDAC8NCOR2
SCHEMBL24883514 0.84 KDM4E (0.43) KDM4EALDH1A1HDAC3HDAC8NCOR2
SCHEMBL16553920 0.84 ALDH1A1 (0.40) KDM4EALDH1A1HDAC3HDAC8NCOR2
SCHEMBL25247129 0.84 HSD17B10 (0.43) KDM4EALDH1A1HDAC3HDAC8NCOR2
SCHEMBL13172593 0.84 ALDH1A1 (0.40) KDM4EALDH1A1HDAC3HDAC8NCOR2
SCHEMBL24269268 0.84 KDM4E (0.40) KDM4EALDH1A1HDAC3HDAC8NCOR2
SCHEMBL24883759 0.83 KDM4E (0.39) KDM4EALDH1A1HDAC3HDAC8NCOR2
SCHEMBL13172345 0.83 KDM4E (0.39) KDM4EALDH1A1HDAC6
SCHEMBL13165384 0.83 ALDH1A1 (0.39) KDM4EALDH1A1HDAC3HDAC8NCOR2
SCHEMBL27806606 0.83 L3MBTL1 (0.54) KDM4EALDH1A1HDAC3HDAC8NCOR2

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-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
US-20090036485-A1 Quinoline derivatives JUNG FREDERIC HENRI 2009-02-05 US disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
EP-1802603-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040522-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 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-20090036485-A1 Quinoline derivatives AQP3, PGF, AQP1 KDM4E 2931/4885ALDH1A1 1431/4885HDAC3 627/4885
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 KDM4E 2349/4885ALDH1A1 2449/4885HDAC3 775/4885

“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.