SCHEMBL1365749

SCHEMBL1365749

COc1ccc(/C=C/C(=O)CC(=O)c2cc3ccccc3[nH]c2=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 4/20 0.76
GSK3B P49841 1/20 0.55
ASAH1 Q13510 1/20 0.50
ESR1 P03372 1/20 0.50
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 6/20 0.48
MAPT P10636 5/20 0.48
GAA P10253 2/20 0.48
HIF1A Q16665 1/20 0.48
POLB P06746 2/20 0.48
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK10 P53779 1/20 0.46
MEN1 O00255 1/20 0.46
PLIN1 O60240 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
PLIN5 Q00G26 1/20 0.46
KMT2A Q03164 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
SCHEMBL1366173 1.00 PADI4 (0.76) PADI4GSK3BASAH1ESR1ALDH1A1
SCHEMBL1365750 1.00 PADI4 (0.76) PADI4GSK3BASAH1ESR1ALDH1A1
SCHEMBL1368149 0.87 PADI4 (0.57) PADI4GSK3BALDH1A1KDM4EMAPT
SCHEMBL1368142 0.87 PADI4 (0.57) PADI4GSK3BALDH1A1KDM4EMAPT
SCHEMBL1368309 0.87 PADI4 (0.57) PADI4GSK3BALDH1A1KDM4EMAPT
SCHEMBL1367544 0.87 PADI4 (1.00) PADI4ASAH1ESR1ALDH1A1KDM4E
SCHEMBL1369067 0.87 PADI4 (1.00) PADI4ASAH1ESR1ALDH1A1KDM4E
SCHEMBL1367541 0.87 PADI4 (1.00) PADI4ASAH1ESR1ALDH1A1KDM4E
SCHEMBL1366680 0.86 PADI4 (0.55) PADI4ESR1ALDH1A1KDM4EMAPT
SCHEMBL1366679 0.86 PADI4 (0.55) PADI4ESR1ALDH1A1KDM4EMAPT

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 4 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

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 PADI4 3091/4885GSK3B 4183/4885ASAH1 995/4885

“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.