SCHEMBL4824914

SCHEMBL4824914

COc1cccc(C(O)(Cc2ccccc2)C2=COCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.40
MAOB P27338 2/20 0.38
CCR2 P41597 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
KIF11 P52732 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CETP P11597 2/20 0.36
USP2 O75604 1/20 0.35
HTR1A P08908 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD4 P21917 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 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
SCHEMBL4816699 0.87 SMN1; SMN2 (0.41) CHRM3SIGMAR1KIF11LMNAHTT
SCHEMBL4825669 0.79 KMT2A (0.38) LMNAHTTSMN1; SMN2NPSR1
SCHEMBL4823560 0.71 CYP1A2 (0.48) LMNASMN1; SMN2SLC6A2
SCHEMBL10894036 0.71 LMNA (0.45) LMNAGAAHTTSMN1; SMN2NPSR1
SCHEMBL9837849 0.68 LMNA (0.55) KIF11LMNAHTTSMN1; SMN2NPSR1
SCHEMBL2346144 0.68 SMN1; SMN2 (0.37) CHRM3SMN1; SMN2SLC6A2OPRK1SLC6A3
SCHEMBL10069982 0.68 LMNA (0.65) CHRM3MAOBCCR2SIGMAR1LMNA
SCHEMBL7125526 0.68 KIF11 (0.45) KIF11LMNAGAAHTTSMN1; SMN2
SCHEMBL5308325 0.67 KIF11 (0.50) MAOBSIGMAR1KIF11SLC6A2
SCHEMBL10368035 0.66 HTT (0.56) SIGMAR1KIF11LMNAHTTSMN1; SMN2

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 CHRM3 4508/4885MAOB 2053/4885CCR2 592/4885

“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.