SCHEMBL4170920

SCHEMBL4170920

CC(C)(C)OC(=O)Cc1ccc(OCc2ccccc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.53
MAOB P27338 3/20 0.49
LTA4H P09960 1/20 0.46
ALOX5 P09917 2/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
FFAR1 O14842 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
PRMT5 O14744 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PLA2G4B P0C869 1/20 0.43
ALKBH1 Q13686 1/20 0.43
ACACB O00763 2/20 0.43
ACACA Q13085 2/20 0.43
PARP10 Q53GL7 1/20 0.43

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
SCHEMBL3944540 0.85 P4HTM (0.57) P4HTMMAOBALOX5NR4A1NR4A2
SCHEMBL30697582 0.83 PRMT5 (0.60) P4HTMMAOBALOX5FFAR1PRMT5
SCHEMBL4166459 0.82 P4HTM (0.63) P4HTMMAOBALOX5NR4A1NR4A2
SCHEMBL27891065 0.81 CACNA1I (0.41) KDM4EMAPT
SCHEMBL4178339 0.79 ESR1 (0.41) KDM4E
SCHEMBL1974876 0.79 P4HTM (0.58) P4HTMMAOBALOX5NR4A1NR4A2
SCHEMBL1350878 0.77 PTPN1 (0.57) PPARG
SCHEMBL1350409 0.77 PTPN1 (0.57) PPARG
SCHEMBL2186639 0.76 P4HTM (0.77) P4HTMMAOBALOX5NR4A1NR4A2
SCHEMBL13195398 0.76 S1PR1 (0.54) P4HTMMAOBALOX5NR4A1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233950-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-09-17 US disclosed
CN-101437810-A Quinazoline derivatives ASTRAZENECA AB (SE) 2009-05-20 CN disclosed
CN-101432276-A Quinoline derivatives ASTRAZENECA AB (SE) 2009-05-13 CN disclosed
US-20090076075-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-1994024-A2 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
EP-1994023-A1 QUINAZOLINE 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 P4HTM 3650/4885MAOB 1776/4885LTA4H 4530/4885
US-20090233950-A1 QUINAZOLINE DERIVATIVES NQO2, CCNI, F12 P4HTM 3970/4885MAOB 2804/4885LTA4H 4455/4885

“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.