SCHEMBL3107969

SCHEMBL3107969

O=C(O)c1cccc(C2=CCOCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 3/20 0.53
KMO O15229 3/20 0.49
PIK3CD O00329 2/20 0.47
PIK3CA P42336 2/20 0.47
KEAP1 Q14145 1/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
FABP5 Q01469 2/20 0.43
FABP3 P05413 1/20 0.43
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
PRKDC P78527 1/20 0.42
FOLH1 Q04609 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL31705648 1.00 FABP7 (0.53) FABP7KMOPIK3CDPIK3CAKEAP1
Lithium Ion SCHEMBL31704971 0.85 FABP7 (0.46) FABP7PIK3CDPIK3CAFABP5FABP3
Lithium Ion SCHEMBL31704781 0.85 FABP7 (0.46) FABP7PIK3CDPIK3CAFABP5FABP3
SCHEMBL23705406 0.83 FABP7 (0.47) FABP7PIK3CDPIK3CAPRKDCALDH1A1
SCHEMBL23715058 0.83 HDAC8 (0.45) FABP7PIK3CDPIK3CA
SCHEMBL420951 0.82 IKBKE (0.44) FABP7PIK3CDPIK3CARXRARXRB
SCHEMBL20499591 0.78 MAPT (0.47) FABP7PIK3CDPIK3CAFABP5FABP3
SCHEMBL18857842 0.78 MAPK14 (0.47) FABP7PIK3CDPIK3CAFABP5FABP3
SCHEMBL2724261 0.78 IKBKE (0.42) FABP7PIK3CDPIK3CAFABP5FABP3
SCHEMBL19473360 0.78 PIK3CA (0.49) KMOPIK3CDPIK3CAKDM4EALDH1A1

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-20100234355-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-09-16 US disclosed
CN-101506171-A Isoquinoline derivatives as inhibitors of cytokine mediated diseases and uses thereof ASTRAZENECA AB (SE) 2009-08-12 CN disclosed
EP-2035386-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES AstraZeneca AB (SE) 2009-03-18 EP disclosed
US-20080207596-A1 Novel compounds 329 MARTIN BARRIE 2008-08-28 US disclosed
WO-2007149031-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-12-27 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-20080207596-A1 Novel compounds 329 CCL11, IL2, IL1B FABP7 3272/4885KMO 4129/4885PIK3CD 3523/4885
US-20100234355-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES IL2, IFNG, IL1B FABP7 4426/4885KMO 1491/4885PIK3CD 2388/4885

“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.