SCHEMBL2173300

SCHEMBL2173300

COc1cc(O)ccc1C(C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
APP P05067 2/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CAPN1 P07384 1/20 0.37
PARP1 P09874 1/20 0.37
MAOA P21397 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
PPARG P37231 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
BACE1 P56817 1/20 0.35
ESR2 Q92731 2/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL16811751 0.81 ITGA4 (0.47) ITGA4ITGB7KMT2A
SCHEMBL25255901 0.80 PTGS2 (0.50) MAOBAPPMEN1KMT2ACAPN1
SCHEMBL28968844 0.79 POLB (0.40) APPITGA4ITGB7MEN1KMT2A
SCHEMBL2172395 0.78 LTA4H (0.49) MAOBITGA4ITGB7
SCHEMBL30703540 0.74 CACNA1B (0.40) APPMAPTALDH1A1GAA
SCHEMBL30697613 0.74 CACNA1B (0.40) APPMAPTALDH1A1GAA
SCHEMBL5848428 0.73 MAOB (0.57) MAOBAPPCYP3A4MAPTGAA
SCHEMBL1553334 0.73 NQO2 (0.42) APPALDH1A1GAA
SCHEMBL1553332 0.73 GPR88 (0.40) MAOBAPPALDH1A1GAABACE1
SCHEMBL8850119 0.73 APP (0.49) APPMEN1KMT2ACYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-1994025-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007113565-A1 NAPHTHYRIDINE DERIVATIVES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
WO-2007099326-A1 QUINOLINE 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 (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-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 MAOB 1841/4885APP 2289/4885ITGA4 4010/4885

“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.