SCHEMBL17185553

SCHEMBL17185553

COc1cc(OC)c2c(=O)cc(-c3ccc(OCCN4CCCC4=O)cc3)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.61
▸ MAOB P27338 10/20 0.56
▸ MAOA P21397 4/20 0.56
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ ABCG2 Q9UNQ0 1/20 0.54
▸ BCHE P06276 1/20 0.52
▸ ACHE P22303 1/20 0.52
▸ BRD4 O60885 1/20 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
SCHEMBL19129476 0.93 MAOB (0.54) ABCB1MAOBMAOABCHEACHE
SCHEMBL17193743 0.86 BCHE (0.70) ABCB1MAOBMAOAKDM4EMEN1
SCHEMBL17185529 0.85 ACHE (0.68) ABCB1MAOBMAOAKDM4EMEN1
SCHEMBL17185545 0.83 ABCB1 (0.65) ABCB1MAOBMAOAKDM4EMEN1
SCHEMBL17185531 0.83 BCHE (0.71) ABCB1MAOBMAOAKDM4EMEN1
SCHEMBL17193741 0.81 MAOB (0.81) ABCB1MAOBMAOAKDM4EMEN1
SCHEMBL17185533 0.80 ABCB1 (0.75) ABCB1MAOBMAOAKDM4EMEN1
SCHEMBL17185542 0.80 ABCB1 (0.75) ABCB1MAOBMAOAKDM4EMEN1
SCHEMBL17185524 0.80 ABCB1 (0.75) ABCB1MAOBMAOAKDM4EMEN1
SCHEMBL19129478 0.79 ACHE (0.64) ABCB1MAOBMAOABCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
WO-2015161309-A1 APIGENIN ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO ZHOU JIA (US) 2015-10-22 — — WO claimed
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-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
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
WO-2015161309-A1 APIGENIN ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO ZHOU JIA (US) 2015-10-22 — — WO disclosed
WO-2015161309-A1 APIGENIN ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO ZHOU JIA (US) 2015-10-22 — — 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-20170204078-A1 APIGENIN ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO CBS, CTH, PTGIS ABCB1 831/4885MAOB 1245/4885MAOA 1595/4885

“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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