SCHEMBL1368982

SCHEMBL1368982

COc1cccc2oc(=O)c(C(=O)CC(=O)c3cc4c(OC)cccc4oc3=O)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.56
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
CNR1 P21554 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
CYP2A6 P11509 1/20 0.50
MAOB P27338 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP1A2 P05177 2/20 0.47
LMNA P02545 1/20 0.47
NQO1 P15559 1/20 0.47
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 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
SCHEMBL1369749 0.87 CA12 (0.58) CNR2CA12CA1CA2CA9
SCHEMBL1366644 0.87 CA12 (0.58) CNR2CA12CA1CA2CA9
SCHEMBL11337793 0.86 CA12 (0.62) CNR2CA12CA1CA2CA9
SCHEMBL1367145 0.82 MAOB (0.61) CNR2CNR1GPR55MAOBMEN1
SCHEMBL1368562 0.82 MAOB (0.61) CNR2CNR1GPR55MAOBMEN1
SCHEMBL1367143 0.82 MAOB (0.61) CNR2CNR1GPR55MAOBMEN1
SCHEMBL1366516 0.81 MAOB (0.52) CNR2CA12CA2CA9MAOB
SCHEMBL11622415 0.77 CNR2 (0.71) CNR2CA12CA1CA2CA9
SCHEMBL9923789 0.76 CA12 (0.62) CNR2CA12CA1CA2CA9
SCHEMBL4349585 0.76 CNR1 (0.41) CNR2CA12CA1CA2CA9

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 CNR2 3645/4885CA12 4005/4885CA1 4493/4885

“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.