SCHEMBL1367029

SCHEMBL1367029

O=C(c1cc2cccc(O)c2oc1=O)c1cc2cccc(O)c2oc1=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.79
MAOB P27338 4/20 0.79
ADORA2A P29274 5/20 0.57
ADORA1 P30542 5/20 0.57
ADORA3 P0DMS8 3/20 0.57
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
LCK P06239 1/20 0.55
AKR1B10 O60218 1/20 0.53
AKR1B1 P15121 1/20 0.53
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
TMIGD3 P0DMS9 3/20 0.51
CA3 P07451 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51

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
SCHEMBL977935 0.88 MAOA (1.00) MAOAMAOBADORA2AADORA1ADORA3
SCHEMBL11344137 0.86 MAOA (0.73) MAOAMAOBADORA2AADORA1ADORA3
Hydrochloric Acid SCHEMBL11344142 0.86 MAOA (0.97) MAOAMAOBADORA2AADORA1ADORA3
SCHEMBL1368567 0.83 MAOA (0.57) MAOAMAOBCA12CA1CA2
SCHEMBL28865516 0.82 MAOA (0.68) MAOAMAOBADORA2AADORA1ADORA3
SCHEMBL22132743 0.78 MAOA (0.56) MAOAMAOBADORA2AADORA1ADORA3
SCHEMBL1367555 0.78 MAOA (0.54) MAOAMAOBCA12CA1CA2
SCHEMBL15628851 0.76 CA12 (0.63) MAOAMAOBADORA2AADORA1ADORA3
SCHEMBL10790876 0.76 CA12 (0.63) MAOAMAOBADORA2AADORA1ADORA3
SCHEMBL10791365 0.76 MAOA (0.60) MAOAMAOBADORA2AADORA1ADORA3

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 MAOA 3570/4885MAOB 2929/4885ADORA2A 4639/4885

“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.