SCHEMBL1367085

SCHEMBL1367085

COc1ccc(Br)c2cc(C(=O)c3cc4c(Br)ccc(OC)c4[nH]c3=O)c(=O)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 3/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 10/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
CNR2 P34972 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38

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
SCHEMBL830967 0.77 ALDH1A1 (0.43) KDM4EHPGDHSD17B10TP53ALDH1A1
SCHEMBL15450918 0.73 KDM4E (0.42) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL1370973 0.72 CNR2 (0.43) KDM4EHPGDHSD17B10TP53ALDH1A1
SCHEMBL2171202 0.72 NQO2 (0.47) KDM4EHPGDHSD17B10TP53ALDH1A1
SCHEMBL28426043 0.72 ERN1 (0.47) KDM4EHPGDALDH1A1TSHRLMNA
SCHEMBL1368772 0.71 CA12 (0.47) HPGDHSD17B10ALDH1A1
SCHEMBL1365752 0.71 ALDH1A1 (0.43) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL28464866 0.71 KDM4E (0.52) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL1367048 0.71 KMT2A (0.59) KDM4ELMNA
SCHEMBL29763553 0.70 KDM4E (0.40) KDM4EHPGDHSD17B10TP53ALDH1A1

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 KDM4E 2293/4885HPGD 819/4885HSD17B10 484/4885

“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.