SCHEMBL4525033

SCHEMBL4525033

CC(C)(C)[Si](C)(C)Oc1cnn(CC(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.34
PDK2 Q15119 4/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
S1PR1 P21453 1/20 0.33
EPHX2 P34913 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
HTT P42858 2/20 0.31
PLA2G4A P47712 1/20 0.31
GAA P10253 1/20 0.31
SCD O00767 1/20 0.30

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
SCHEMBL4158803 0.85 KDM4E (0.39) PREPCA12CA1CA9SCD
SCHEMBL4525268 0.80 RAB9A (0.45) L3MBTL1GAASCD
SCHEMBL18606323 0.78 GABRD (0.39) CYP4F2CYP4A11S1PR1L3MBTL1GAA
SCHEMBL7249888 0.75 L3MBTL1 (0.49) L3MBTL1SCD
SCHEMBL28384884 0.75 CYP4F2 (0.49) PDK2CYP4F2CYP4A11S1PR1PLA2G4A
SCHEMBL28383909 0.73 HDAC1 (0.32) S1PR1
SCHEMBL10203215 0.71 NR1H4 (0.38) PDK2S1PR1EPHX2L3MBTL1HTT
SCHEMBL26907586 0.71 PREP (0.36) PREPCA12CA1CA9
SCHEMBL30084990 0.70 KMO (0.49) CYP4F2CYP4A11CA12CA1CA9
SCHEMBL3888920 0.69 ALDH1A1 (0.46) PDK2EPHX2L3MBTL1HTTGAA

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-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP 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 (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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 PREP 380/4885PDK2 1477/4885CYP4F2 1234/4885

“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.