SCHEMBL1368696

SCHEMBL1368696

COc1cc(Br)cc2cc(C(=O)c3cc4cc(Br)cc(OC)c4oc3=O)c(=O)oc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.61
▸ TP53 P04637 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ ALDH1A1 P00352 4/20 0.60
▸ HPGD P15428 1/20 0.60
▸ MEN1 O00255 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ MAOB P27338 6/20 0.58
▸ GAA P10253 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.53
▸ GPR35 Q9HC97 1/20 0.52
▸ MAOA P21397 3/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA3 P07451 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
SCHEMBL1367003 0.80 GPR35 (0.79) MAPTALDH1A1HPGDMAOBGPR35
SCHEMBL1369613 0.78 MAPT (0.74) MAPTALDH1A1HPGDMEN1CYP1A2
SCHEMBL830715 0.77 TP53 (0.79) PIM1TP53MAPTALDH1A1HPGD
SCHEMBL7382658 0.76 PIM1 (1.00) PIM1TP53MAPTALDH1A1MEN1
SCHEMBL7380636 0.76 PIM1 (0.78) PIM1TP53MAPTALDH1A1HPGD
SCHEMBL28807108 0.74 GPR35 (0.60) PIM1TP53MAPTALDH1A1MAOB
SCHEMBL28805354 0.73 CNR2 (0.66) TP53MAPTALDH1A1MAOBGPR35
SCHEMBL13810951 0.73 PIM1 (0.59) PIM1TP53MAPTALDH1A1HPGD
SCHEMBL16708178 0.72 PIM1 (0.72) PIM1TP53MAPTALDH1A1HPGD
SCHEMBL1368772 0.72 CA12 (0.47) MAPTALDH1A1HPGDMEN1KMT2A

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 PIM1 1647/4885TP53 142/4885MAPT 4718/4885

“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.

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