SCHEMBL1367386

SCHEMBL1367386

COc1ccc(/C=C/C(=O)CC(=O)c2cc3c(OC)cccc3sc2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.52
MAPT P10636 8/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
PLIN1 O60240 1/20 0.46
ALDH1A1 P00352 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
ABHD5 Q8WTS1 1/20 0.46
BACE1 P56817 7/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 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
SCHEMBL1369151 1.00 GSK3B (0.52) GSK3BMAPTKDM4EMEN1PLIN1
SCHEMBL1367389 1.00 GSK3B (0.52) GSK3BMAPTKDM4EMEN1PLIN1
SCHEMBL1368341 0.89 GSK3B (0.53) GSK3BMAPTKDM4EMEN1PLIN1
SCHEMBL1366033 0.89 GSK3B (0.53) GSK3BMAPTKDM4EMEN1PLIN1
SCHEMBL1366032 0.89 GSK3B (0.53) GSK3BMAPTKDM4EMEN1PLIN1
SCHEMBL1370986 0.82 HDAC3 (0.57) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL1368220 0.82 GSK3B (0.58) GSK3BMAPTKDM4EMEN1ALDH1A1
SCHEMBL1368218 0.82 GSK3B (0.58) GSK3BMAPTKDM4EMEN1ALDH1A1
SCHEMBL1368264 0.82 GSK3B (0.58) GSK3BMAPTKDM4EMEN1ALDH1A1
SCHEMBL829427 0.80 GSK3B (0.44) GSK3BMAPTKDM4EMEN1PLIN1

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 GSK3B 4183/4885MAPT 4718/4885KDM4E 2293/4885

“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.