SCHEMBL4823560

SCHEMBL4823560

OC(Cc1ccccc1)(Cc1ccccc1)C1=COCO1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
FDPS P14324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC6A2 P23975 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KCNA5 P22460 1/20 0.33
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MMP8 P22894 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3443952 0.85 CYP2C9 (0.39) CYP1A2CYP2C9CYP2C19FDPSSMN1; SMN2
SCHEMBL8515125 0.78 SMN1; SMN2 (0.38) CYP1A2CYP2C9CYP2C19FDPSSMN1; SMN2
SCHEMBL15262579 0.78 SMN1; SMN2 (0.38) CYP1A2CYP2C9CYP2C19FDPSSMN1; SMN2
SCHEMBL14896221 0.75 CYP1A2 (0.32) CYP1A2CYP2C9CYP2C19
SCHEMBL5531099 0.74 LMNA (0.32) CYP2C9CYP2C19FDPSSMN1; SMN2HIF1A
SCHEMBL4816699 0.73 SMN1; SMN2 (0.41) SMN1; SMN2LMNANPC1RAB9A
SCHEMBL8874125 0.73 CPA1 (0.36) CYP1A2SMN1; SMN2HIF1ALMNATSHR
SCHEMBL2346144 0.73 SMN1; SMN2 (0.37) CYP2C9CYP2C19FDPSSMN1; SMN2HIF1A
SCHEMBL8874556 0.73 KIF11 (0.37) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL1154824 0.71

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 CYP1A2 139/4885CYP2C9 207/4885CYP2C19 349/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES CYP1A2 139/4885CYP2C9 207/4885CYP2C19 349/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES CYP1A2 139/4885CYP2C9 207/4885CYP2C19 349/4885

“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.