SCHEMBL4183865

SCHEMBL4183865

COc1cc(OC)c2c(=O)oc(-c3cc(C)c(OC(C)C4CNCCO4)c(C)c3)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.38
▸ SLC6A2 P23975 10/20 0.35
▸ SLC6A4 P31645 10/20 0.35
▸ BRD2 P25440 4/20 0.35
▸ BRD3 Q15059 4/20 0.35
▸ BRDT Q58F21 4/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ SLC6A3 Q01959 6/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HRH1 P35367 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL370551 0.81 BRD4 (0.38) BRD4BRD2BRD3BRDTABCB1
SCHEMBL4183869 0.81 BRD4 (0.48) BRD4SLC6A2SLC6A4BRD2BRD3
SCHEMBL347749 0.72 BRD4 (0.58) BRD4BRD2BRD3BRDTABCB1
SCHEMBL348377 0.71 XDH (0.51) BRD4ABCB1KDM4EALDH1A1LMNA
SCHEMBL348539 0.71 BRD4 (0.49) BRD4BRD2BRD3BRDTABCB1
SCHEMBL4176435 0.70 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL348840 0.68 BRD4 (0.52) BRD4BRD2BRD3BRDTMEN1
SCHEMBL370550 0.67 BRD4 (0.56) BRD4BRD2BRD3BRDT
SCHEMBL11826604 0.62 XDH (0.58) ABCB1KDM4EALDH1A1LMNAGAA
SCHEMBL26079993 0.60 ABCB1 (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410109-B2 Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery by insertable medical devices RESVERLOGIX CORP. (CA) 2013-04-02 — — US disclosed
US-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices RESVERLOGIX CORP. (CA) 2009-01-29 — — 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-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices VCAM1, ICAM1, TGFB1 BRD4 1004/4885SLC6A2 1466/4885SLC6A4 2975/4885

“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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