SCHEMBL4529832

SCHEMBL4529832

CC(C)(C)OC(=O)N(Cc1cc(N)cc(CO)c1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.39
HSD11B1 P28845 1/20 0.38
GPR119 Q8TDV5 3/20 0.36
NR1H4 Q96RI1 1/20 0.35
KDM1A O60341 3/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
REN P00797 1/20 0.32
HTR2A P28223 2/20 0.32
CCR5 P51681 1/20 0.31
TACR1 P25103 1/20 0.31

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
SCHEMBL4525755 0.88 CETP (0.39) CETPHSD11B1GPR119NR1H4KDM1A
SCHEMBL1099618 0.88 CETP (0.39) CETPHSD11B1GPR119NR1H4KDM1A
SCHEMBL1098050 0.86 NR1H4 (0.40) CETPHSD11B1NR1H4KDM1AHDAC8
SCHEMBL1099516 0.85 CETP (0.39) CETPHSD11B1GPR119NR1H4KDM1A
SCHEMBL4525683 0.83 CETP (0.38) CETPHSD11B1GPR119NR1H4KDM1A
SCHEMBL4525824 0.83 CETP (0.38) CETPHSD11B1GPR119NR1H4KDM1A
SCHEMBL18617678 0.83 GPR119 (0.47) CETPHSD11B1GPR119NR1H4KDM1A
SCHEMBL4521538 0.82 HSD11B1 (0.45) CETPHSD11B1NR1H4KDM1AHDAC8
SCHEMBL23027974 0.79 HSD11B1 (0.44) CETPHSD11B1NR1H4TACR1
SCHEMBL15820250 0.78 HSD11B1 (0.43) CETPHSD11B1NR1H4TACR1

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-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 CETP 3817/4885HSD11B1 3156/4885GPR119 653/4885

“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.