SCHEMBL17185529

SCHEMBL17185529

COc1cc(OC)c2c(=O)cc(-c3ccc(OCCN4CCCCC4)cc3)oc2c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 6/20 0.68
▸ BCHE P06276 4/20 0.68
▸ ABCB1 P08183 1/20 0.65
▸ MAOA P21397 2/20 0.58
▸ MAOB P27338 2/20 0.58
▸ BRD4 O60885 3/20 0.57
▸ BRD2 P25440 2/20 0.57
▸ BRD3 Q15059 2/20 0.57
▸ BRDT Q58F21 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ ABCG2 Q9UNQ0 1/20 0.57
▸ HRH3 Q9Y5N1 2/20 0.55

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
SCHEMBL17193743 0.99 BCHE (0.70) ACHEBCHEABCB1MAOAMAOB
SCHEMBL19129535 0.92 ACHE (0.63) ACHEBCHEABCB1MAOAMAOB
SCHEMBL17185545 0.92 ABCB1 (0.65) ACHEBCHEABCB1MAOAMAOB
SCHEMBL17185531 0.91 BCHE (0.71) ACHEBCHEABCB1MAOAMAOB
SCHEMBL19129478 0.91 ACHE (0.64) ACHEBCHEABCB1MAOAMAOB
SCHEMBL17185547 0.88 BCHE (0.68) ACHEBCHEABCB1MAOAMAOB
SCHEMBL17185553 0.85 ABCB1 (0.61) ACHEBCHEABCB1MAOAMAOB
SCHEMBL23259591 0.85 ACHE (0.59) ACHEBCHEHRH3
SCHEMBL30026087 0.85 ACHE (0.59) ACHEBCHEHRH3
SCHEMBL19129507 0.84 MAOA (0.56) ACHEBCHEABCB1MAOAMAOB

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 9 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 claimed
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 ACHE 218/4885BCHE 142/4885ABCB1 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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