SCHEMBL1369078

SCHEMBL1369078

COc1ccc(/C=C/C(=O)CC(=O)c2cc3ccc(Cl)cc3oc2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.60
GSK3B P49841 1/20 0.52
CYP2C19 P33261 1/20 0.52
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC1 Q13547 2/20 0.49
MAOA P21397 4/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 3/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GLA P06280 2/20 0.48
HSD17B10 Q99714 1/20 0.48
SLC16A3 O15427 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL1365686 1.00 MAOB (0.60) MAOBGSK3BCYP2C19CA12CA9
SCHEMBL1365687 1.00 MAOB (0.60) MAOBGSK3BCYP2C19CA12CA9
SCHEMBL1367668 0.92 KMT2A (0.61) MAOBGSK3BCA12CA9MEN1
SCHEMBL1367464 0.92 KMT2A (0.61) MAOBGSK3BCA12CA9MEN1
SCHEMBL1367462 0.92 KMT2A (0.61) MAOBGSK3BCA12CA9MEN1
SCHEMBL1365979 0.92 CYP2C19 (0.61) MAOBGSK3BCYP2C19CA12CA9
SCHEMBL1365981 0.92 CYP2C19 (0.61) MAOBGSK3BCYP2C19CA12CA9
SCHEMBL1368359 0.92 CYP2C19 (0.61) MAOBGSK3BCYP2C19CA12CA9
SCHEMBL1368280 0.88 GSK3B (0.52) MAOBGSK3BCYP2C19CA12CA9
SCHEMBL1368879 0.88 GSK3B (0.52) MAOBGSK3BCYP2C19CA12CA9

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-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US claimed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 WO claimed
US-8067461-B2 3-acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-11-29 US disclosed
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US disclosed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 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-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof NQO2, NQO1, HCCS MAOB 2929/4885GSK3B 4183/4885CYP2C19 606/4885

“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.