SCHEMBL1368062

SCHEMBL1368062

CCOc1cccc2cc(C(=O)C(=O)c3cc4cccc(OCC)c4oc3=O)c(=O)oc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.64
NCOA2 Q15596 1/20 0.64
NCOA1 Q15788 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
NCOA3 Q9Y6Q9 1/20 0.64
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 1/20 0.62
NPC1 O15118 1/20 0.62
KMT2A Q03164 1/20 0.62
GLA P06280 1/20 0.62
ADORA3 P0DMS8 3/20 0.62
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA9 Q16790 2/20 0.62
ADORA2A P29274 1/20 0.62
ADORA1 P30542 1/20 0.62
USP2 O75604 2/20 0.61
KDM4E B2RXH2 2/20 0.61
HPGD P15428 1/20 0.61

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
SCHEMBL1368826 0.92 PPARG (0.64) PPARGNCOA2NCOA1NPSR1NCOA3
SCHEMBL981636 0.90 CA12 (0.73) PPARGNCOA2NCOA1NPSR1NCOA3
SCHEMBL1367791 0.89 PPARG (0.64) PPARGNCOA2NCOA1NPSR1NCOA3
SCHEMBL6688200 0.86 MAOA (0.64) PPARGNCOA2NCOA1NPSR1NCOA3
SCHEMBL31457887 0.86 PPARG (0.58) PPARGNCOA2NCOA1NPSR1NCOA3
SCHEMBL27934305 0.80 CA12 (0.70) ALDH1A1MEN1KMT2AGLAADORA3
SCHEMBL26603083 0.79 CNR2 (0.73) ALDH1A1MEN1KMT2AGLAADORA3
SCHEMBL28996500 0.79 TDP1 (0.76) PPARGNCOA2NCOA1NPSR1NCOA3
SCHEMBL30349268 0.79 TDP1 (0.76) PPARGNCOA2NCOA1NPSR1NCOA3
SCHEMBL26603160 0.78 CNR2 (0.72) PPARGNCOA2NCOA1NPSR1NCOA3

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
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 PPARG 3222/4885NCOA2 869/4885NCOA1 374/4885

“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.