SCHEMBL4826029

SCHEMBL4826029

CCOc1cc(C(=O)c2ccc(OC)c(OCC)c2)ccc1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.72
▸ CYP1A2 P05177 1/20 0.72
▸ CYP3A4 P08684 1/20 0.72
▸ CYP2C9 P11712 1/20 0.72
▸ CYP2C19 P33261 1/20 0.72
▸ MAPK1 P28482 1/20 0.71
▸ NPC1 O15118 1/20 0.65
▸ USP2 O75604 1/20 0.65
▸ RAB9A P51151 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ TP53 P04637 1/20 0.64
▸ PDE4A P27815 6/20 0.62
▸ PDE4B Q07343 6/20 0.62
▸ PDE4C Q08493 6/20 0.62
▸ PDE4D Q08499 6/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ LMNA P02545 1/20 0.59
▸ SLC22A6 Q4U2R8 1/20 0.58

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
SCHEMBL5076592 0.98 TSHR (0.76) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4825956 0.92 PDE4A (0.64) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4826406 0.92 PDE4A (0.76) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5077500 0.92 LMNA (0.63) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4822545 0.91 PDE4A (0.62) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4824589 0.91 PDE4A (0.64) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20496433 0.91 NPC1 (0.71) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4819890 0.88 PDE4A (0.67) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4816909 0.88 PDE4A (0.62) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4824742 0.88 PDE4A (0.62) TSHRCYP1A2CYP3A4CYP2C9CYP2C19

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 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.

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