SCHEMBL4263528

SCHEMBL4263528

COc1cc(C)c(C(C)=O)c(O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.71
HPGD P15428 5/20 0.71
MAPK1 P28482 4/20 0.68
USP2 O75604 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
POLB P06746 4/20 0.61
KMT2A Q03164 3/20 0.61
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
RECQL P46063 2/20 0.58
ABL1 P00519 1/20 0.58
RIN1 Q13671 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
GAA P10253 2/20 0.53
G6PD P11413 1/20 0.53
MCL1 Q07820 1/20 0.53
MEN1 O00255 2/20 0.52
ACHE P22303 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL30916607 1.00 CYP3A4 (0.71) CYP3A4HPGDMAPK1USP2SMN1; SMN2
SCHEMBL2811810 0.88 CYP3A4 (0.78) CYP3A4HPGDMAPK1USP2SMN1; SMN2
SCHEMBL2383124 0.88 CYP3A4 (0.58) CYP3A4HPGDMAPK1USP2SMN1; SMN2
Everninic Acid SCHEMBL609931 0.85 POLB (0.81) CYP3A4HPGDMAPK1USP2SMN1; SMN2
SCHEMBL950536 0.83 CYP3A4 (1.00) CYP3A4HPGDMAPK1USP2SMN1; SMN2
SCHEMBL16018016 0.81 CYP3A4 (0.68) CYP3A4HPGDMAPK1USP2SMN1; SMN2
Xanthoxylin SCHEMBL44708 0.81 CYP3A4 (1.00) CYP3A4HPGDMAPK1USP2SMN1; SMN2
Xanthoxylin SCHEMBL29349586 0.81 CYP3A4 (1.00) CYP3A4HPGDMAPK1USP2SMN1; SMN2
SCHEMBL3279944 0.79 CYP3A4 (0.74) CYP3A4HPGDMAPK1USP2SMN1; SMN2
SCHEMBL29655640 0.79 CYP3A4 (0.74) CYP3A4HPGDMAPK1USP2SMN1; SMN2

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-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 US disclosed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 US disclosed
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 US disclosed
EP-2097420-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Products Inc. (US) 2009-09-09 EP disclosed
WO-2008065508-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 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-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNH3 CYP3A4 1554/4885HPGD 3676/4885MAPK1 1064/4885
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB CYP3A4 1414/4885HPGD 1346/4885MAPK1 1428/4885

“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.