SCHEMBL4817872

SCHEMBL4817872

COc1cc(OC)cc(C(=O)c2ccc(OC)c(F)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.63
LMNA P02545 2/20 0.63
MAPK1 P28482 1/20 0.63
RAB9A P51151 1/20 0.63
ALDH1A1 P00352 3/20 0.57
GAA P10253 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
ACHE P22303 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
TUBB4A P04350 3/20 0.51
TUBB P07437 3/20 0.51
TUBA3C P0DPH7 3/20 0.51
TUBA1B P68363 3/20 0.51
TUBA4A P68366 3/20 0.51
TUBB4B P68371 3/20 0.51
TUBB3 Q13509 3/20 0.51

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
SCHEMBL28217099 0.90 HTT (0.76) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL6441737 0.89 ALDH1A1 (0.73) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL4824025 0.85 CYP1A2 (0.79) HTTLMNAALDH1A1GAACYP1A2
SCHEMBL11115156 0.83 HTT (0.67) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL6131922 0.82 ACHE (0.71) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL3468365 0.81 HTT (0.63) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL3468486 0.81 LMNA (0.63) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL31164291 0.81 HTT (0.63) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL8047746 0.80 HTT (0.58) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL25328546 0.80 MAPK1 (0.54) HTTLMNAMAPK1RAB9AALDH1A1

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 4 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
EP-1799634-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2007-06-27 EP disclosed
WO-2006026747-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-09 WO disclosed
US-20050107339-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-05-19 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-20050107339-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES HTT 1033/4885LMNA 2114/4885MAPK1 3043/4885

“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.