SCHEMBL4822561

SCHEMBL4822561

COc1cccc(C(O)c2cc(OC)cc(OC)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 3/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ BRD4 O60885 2/20 0.51
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ PKM P14618 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CREBBP Q92793 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ ENPP2 Q13822 1/20 0.44
▸ KDM4A O75164 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.44

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
SCHEMBL2093768 0.94 AOC3 (0.59) AOC3L3MBTL1BRD4TSHRMAPK1
SCHEMBL27686957 0.89 AOC3 (0.54) AOC3L3MBTL1BRD4PKMCHRM2
SCHEMBL477338 0.89 AOC3 (0.54) AOC3L3MBTL1BRD4PKMCHRM2
SCHEMBL4819668 0.86 BRD4 (0.57) AOC3L3MBTL1BRD4NPC1RAB9A
SCHEMBL1818480 0.85 ALDH1A1 (0.58) AOC3L3MBTL1BRD4CREBBP
SCHEMBL17064808 0.85 ALDH1A1 (0.66) AOC3L3MBTL1BRD4PKMCHRM2
SCHEMBL31067514 0.85 ALDH1A1 (0.66) AOC3L3MBTL1BRD4PKMCHRM2
SCHEMBL18529828 0.84 AOC3 (0.50) AOC3L3MBTL1BRD4PKMCHRM2
SCHEMBL31476413 0.84 AOC3 (0.50) AOC3L3MBTL1BRD4PKMCHRM2
SCHEMBL3470936 0.84 AOC3 (0.50) AOC3L3MBTL1BRD4PKMCHRM2

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-7470723-B2 Diphenylethylene compounds and uses thereof CELGENE CORPORATION (US) 2008-12-30 — — US disclosed
US-20080114061-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2008-05-15 — — US disclosed
US-7312241-B2 Diphenylethylene compounds and uses thereof CELGENE CORPORATION (US) 2007-12-25 — — US disclosed
CN-101053558-A Diphenylethylene compounds and uses thereof CELGENE CORP (US) 2007-10-17 — — CN disclosed
EP-1799634-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2007-06-27 — — EP disclosed
EP-1603864-A4 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORP (US) 2007-04-11 — — EP disclosed
WO-2006026747-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-09 — — WO disclosed
EP-1603864-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2005-12-14 — — EP disclosed
US-20050107339-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-05-19 — — US disclosed
US-20050014727-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-01-20 — — US disclosed
WO-2004078144-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2004-09-16 — — 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 (3 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-20050107339-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES AOC3 1321/4885L3MBTL1 2413/4885BRD4 1895/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES AOC3 1321/4885L3MBTL1 2413/4885BRD4 1895/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES AOC3 1321/4885L3MBTL1 2413/4885BRD4 1895/4885

“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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