SCHEMBL19129743

SCHEMBL19129743

COc1cc(C)cc2oc(-c3ccc(OCC(O)CN4CCCCC4)cc3)cc(=O)c12

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 5/20 0.70
▸ BRD2 P25440 4/20 0.70
▸ BRD3 Q15059 4/20 0.70
▸ BRDT Q58F21 4/20 0.70
▸ MAOB P27338 4/20 0.54
▸ MAOA P21397 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ ABCB1 P08183 3/20 0.49
▸ ATM Q13315 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ADRB2 P07550 1/20 0.47

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
SCHEMBL19129434 0.99 BRD4 (0.70) BRD4BRD2BRD3BRDTMAOB
SCHEMBL17185525 0.93 BRD4 (0.78) BRD4BRD2BRD3BRDTMAOB
SCHEMBL17185540 0.92 BRD4 (0.77) BRD4BRD2BRD3BRDTMAOB
SCHEMBL19129435 0.85 MAOB (0.61) BRD4BRD2BRD3BRDTMAOB
SCHEMBL19129535 0.84 ACHE (0.63) MAOBMAOAABCB1
SCHEMBL19129478 0.83 ACHE (0.64) MAOBMAOAABCB1
SCHEMBL19129744 0.83 MAOB (0.58) BRD4BRD2BRD3BRDTMAOB
SCHEMBL23787098 0.82 BRD4 (1.00) BRD4BRD2BRD3BRDTKDM4E
SCHEMBL20271950 0.82 BRD4 (1.00) BRD4BRD2BRD3BRDTKDM4E
SCHEMBL20271946 0.81 BRD4 (1.00) BRD4BRD2BRD3BRDTKDM4E

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 BRD4 1611/4885BRD2 1963/4885BRD3 1287/4885

“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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