SCHEMBL17185548

SCHEMBL17185548

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.65
▸ MAOB P27338 9/20 0.60
▸ MAOA P21397 5/20 0.60
▸ KDM4E B2RXH2 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ ABCG2 Q9UNQ0 1/20 0.57
▸ BRD4 O60885 6/20 0.54
▸ BRD2 P25440 4/20 0.53
▸ BRD3 Q15059 4/20 0.53
▸ BRDT Q58F21 4/20 0.53
▸ CYP19A1 P11511 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52

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
SCHEMBL19129744 0.92 MAOB (0.58) ABCB1MAOBMAOAKDM4EALDH1A1
SCHEMBL17185518 0.89 ABCB1 (0.69) ABCB1MAOBMAOAKDM4EALDH1A1
SCHEMBL20291074 0.86 BRD4 (0.71) ABCB1MAOBMAOAKDM4EALDH1A1
SCHEMBL17185540 0.83 BRD4 (0.77) ABCB1MAOBMAOAKDM4EALDH1A1
SCHEMBL17185522 0.82 ABCB1 (0.72) ABCB1MAOBMAOAKDM4EALDH1A1
SCHEMBL17185525 0.82 BRD4 (0.78) ABCB1MAOBMAOAKDM4EALDH1A1
SCHEMBL17185537 0.81 ABCB1 (0.70) ABCB1MAOBMAOAKDM4EALDH1A1
SCHEMBL19129435 0.81 MAOB (0.61) ABCB1MAOBMAOAKDM4EALDH1A1
SCHEMBL17193741 0.81 MAOB (0.81) ABCB1MAOBMAOAKDM4EALDH1A1
Trimethylapigenin SCHEMBL1421585 0.80 ABCB1 (1.00) ABCB1MAOBMAOAKDM4EALDH1A1

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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