SCHEMBL4820694

SCHEMBL4820694

COc1ccc(C(=O)C2=COC=C(C3=CC=CCC3)O2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
TPMT P51580 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ACHE P22303 6/20 0.37
BCHE P06276 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL4816438 0.92 TSHR (0.41) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4825315 0.86 MAPT (0.36) CYP1A2CYP2C9CYP2C19CA1CA2
SCHEMBL4825230 0.84 CES2 (0.39) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4819946 0.84 MEN1 (0.32)
SCHEMBL4817201 0.83 PDE4A (0.54) PDE4B
SCHEMBL4821208 0.77 PDE4A (0.59) PDE4B
SCHEMBL14484732 0.77 MAOB (0.52) ALDH1A1SMN1; SMN2PDE4B
SCHEMBL1267649 0.75
SCHEMBL4818205 0.74 HTT (0.34) TSHRCYP1A2CYP2C9CYP2C19GAA
SCHEMBL4765752 0.74

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 10 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
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 TSHR 4476/4885CYP1A2 139/4885CYP3A4 356/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES TSHR 4476/4885CYP1A2 139/4885CYP3A4 356/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES TSHR 4476/4885CYP1A2 139/4885CYP3A4 356/4885

“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.