SCHEMBL17185525

SCHEMBL17185525

COc1cc(OC)c2c(=O)cc(-c3ccc(OCC(O)CN4CCCCC4)cc3)oc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 5/20 0.78
▸ BRD2 P25440 4/20 0.78
▸ BRD3 Q15059 4/20 0.78
▸ BRDT Q58F21 4/20 0.78
▸ ABCB1 P08183 1/20 0.59
▸ KDM4E B2RXH2 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ MAOB P27338 6/20 0.55
▸ MAOA P21397 5/20 0.55
▸ MEN1 O00255 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ABCG2 Q9UNQ0 1/20 0.53
▸ ATM Q13315 1/20 0.51
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ BCHE P06276 1/20 0.48
▸ ACHE P22303 1/20 0.48

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
SCHEMBL17185540 0.99 BRD4 (0.77) BRD4BRD2BRD3BRDTABCB1
SCHEMBL19129743 0.93 BRD4 (0.70) BRD4BRD2BRD3BRDTABCB1
SCHEMBL19129434 0.92 BRD4 (0.70) BRD4BRD2BRD3BRDTABCB1
SCHEMBL20271950 0.88 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL23787098 0.88 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL20271946 0.86 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL23787087 0.86 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL20291077 0.86 BRD4 (1.00) BRD4BRD2BRD3BRDTABCB1
SCHEMBL17185518 0.85 ABCB1 (0.69) BRD4BRD2BRD3BRDTABCB1
SCHEMBL17185529 0.84 ACHE (0.68) BRD4BRD2BRD3BRDTABCB1

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 11 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
EP-3554503-B1 INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) UNIV TEXAS (US) 2023-10-04 — — EP disclosed
US-11389433-B2 BRD4 inhibitor treatment of IgE-mediated diseases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-07-19 — — 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-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 (2 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-11389433-B2 BRD4 inhibitor treatment of IgE-mediated diseases BRD4, BET1, BRD2 BRD4 1/4885BRD2 3/4885BRD3 4/4885
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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