SCHEMBL19129435

SCHEMBL19129435

COc1cc(C)cc2oc(-c3ccc(OCC(O)CO)cc3)cc(=O)c12

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 12/20 0.61
▸ MAOA P21397 8/20 0.61
▸ ABCB1 P08183 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.55
▸ BRD4 O60885 4/20 0.50
▸ CSNK2A2 P19784 1/20 0.50
▸ CSNK2B P67870 1/20 0.50
▸ CSNK2A1 P68400 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.50
▸ BRD2 P25440 2/20 0.49
▸ BRD3 Q15059 2/20 0.49
▸ BRDT Q58F21 2/20 0.49

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
SCHEMBL17185518 0.92 ABCB1 (0.69) MAOBMAOAABCB1BRD4KDM4E
SCHEMBL19129744 0.89 MAOB (0.58) MAOBMAOAABCB1ADORA3BRD4
SCHEMBL738077 0.87 MEN1 (0.68) MAOBMAOAABCB1ADORA3KDM4E
SCHEMBL19129434 0.86 BRD4 (0.70) MAOBMAOAABCB1ADORA3BRD4
SCHEMBL19129743 0.85 BRD4 (0.70) MAOBMAOAABCB1ADORA3BRD4
SCHEMBL8309779 0.84 ABCB1 (0.56) MAOBMAOAABCB1BRD4KDM4E
SCHEMBL20100895 0.82 ABCB1 (0.82) MAOBMAOAABCB1ADORA3CSNK2A2
SCHEMBL19129531 0.81 MAOB (0.67) MAOBMAOAABCB1ADORA3BRD4
SCHEMBL19129474 0.81 MAOB (0.64) MAOBMAOAABCB1ADORA3CSNK2A2
SCHEMBL19129537 0.81 MAOB (0.64) MAOBMAOAABCB1ADORA3BRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868715-B2 Apigenin analogs, compositions, and methods related thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEMS (US) 2018-01-16 — — US disclosed
US-20170204078-A1 APIGENIN ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-07-20 — — 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-20170204078-A1 APIGENIN ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO CBS, CTH, PTGIS MAOB 1245/4885MAOA 1595/4885ABCB1 831/4885

“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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