SCHEMBL4822975

SCHEMBL4822975

COc1ccc(C(c2cccc3ccccc23)C(C#N)C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.46
ALDH1A1 P00352 7/20 0.43
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
GAA P10253 3/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
AHR P35869 1/20 0.39
NPBWR1 P48145 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL4816417 0.86 SLC6A2 (0.43) PBRM1MAPTRAB9ASLC6A2SLC6A4
SCHEMBL4813756 0.84 ALDH1A1 (0.40) ALDH1A1MAPTHPGDRAB9ASLC6A2
SCHEMBL4813877 0.81 SLC6A4 (0.43) ALDH1A1MAPTHPGDRAB9ASLC6A4
SCHEMBL4822950 0.80 ALDH1A1 (0.50) ALDH1A1HPGDSLC6A4
SCHEMBL4659953 0.79 NPBWR1 (0.46) PBRM1ALDH1A1MAPTRAB9AGAA
SCHEMBL28475628 0.77 NR3C1 (0.62) PBRM1ALDH1A1MAPTNPSR1RAB9A
SCHEMBL13295548 0.77 NR3C1 (0.50) ALDH1A1MAPTRAB9ASLC6A2SLC6A4
SCHEMBL7221229 0.75 KMT2A (0.48) ALDH1A1MAPTRAB9ASLC6A2SLC6A4
SCHEMBL13938653 0.75 SLC6A4 (0.44) ALDH1A1SLC6A4
SCHEMBL4457608 0.75 KMT2A (0.48) ALDH1A1MAPTRAB9ASLC6A2SLC6A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425580-B2 (Diaryl-methyl)-malononitriles and their use as estrogen receptor ligands WYETH (US) 2008-09-16 US claimed
EP-1747192-A1 (DIARYL-METHYL)-MALONONITRILES AND THEIR USE AS ESTROGEN RECEPTOR LIGANDS Wyeth (US) 2007-01-31 EP claimed
US-20060014831-A1 (Diaryl-methyl)-malononitriles and their use as estrogen receptor ligands WYETH (US) 2006-01-19 US claimed
WO-2005121076-A1 (DIARYL-METHYL)-MALONONITRILES AND THEIR USE AS ESTROGEN RECEPTOR LIGANDS WYETH (US) 2005-12-22 WO claimed
US-7425580-B2 (Diaryl-methyl)-malononitriles and their use as estrogen receptor ligands WYETH (US) 2008-09-16 US disclosed
EP-1747192-A1 (DIARYL-METHYL)-MALONONITRILES AND THEIR USE AS ESTROGEN RECEPTOR LIGANDS Wyeth (US) 2007-01-31 EP disclosed
US-20060014831-A1 (Diaryl-methyl)-malononitriles and their use as estrogen receptor ligands WYETH (US) 2006-01-19 US disclosed
WO-2005121076-A1 (DIARYL-METHYL)-MALONONITRILES AND THEIR USE AS ESTROGEN RECEPTOR LIGANDS WYETH (US) 2005-12-22 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 (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-20060014831-A1 (Diaryl-methyl)-malononitriles and their use as estrogen receptor ligands ESR1, ESR2, GPER1 PBRM1 3213/4885ALDH1A1 409/4885MAPT 3873/4885

“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.