SCHEMBL4262102

SCHEMBL4262102

COCOc1ccc(C=Cc2ccc(C#N)cc2)c(OCOC)c1OCOC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
CYP1A1 P04798 4/20 0.37
CYP1B1 Q16678 4/20 0.37
BACE1 P56817 3/20 0.37
NR1H3 Q13133 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
NFE2L2 Q16236 3/20 0.33
FBP1 P09467 1/20 0.33
CYP1A2 P05177 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33

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
SCHEMBL4262095 1.00 CYP19A1 (0.39) CYP19A1CYP1A1CYP1B1BACE1NR1H3
SCHEMBL4262136 0.78 TUBB1 (0.52) CYP19A1CYP1A1CYP1B1CYP1A2TUBB4A
SCHEMBL4261032 0.78 FDPS (0.55) CYP19A1CYP1A1CYP1B1NFE2L2CYP1A2
SCHEMBL4262138 0.78 TUBB1 (0.52) CYP19A1CYP1A1CYP1B1CYP1A2TUBB4A
SCHEMBL4261037 0.78 FDPS (0.55) CYP19A1CYP1A1CYP1B1NFE2L2CYP1A2
SCHEMBL4259777 0.77 MRGPRX4 (0.40) FDPS
SCHEMBL4259775 0.77 MRGPRX4 (0.40) FDPS
SCHEMBL4262074 0.77 PTPN1 (0.46) BACE1
SCHEMBL4260878 0.77 TLR9 (0.52) CYP19A1FBP1SNCA
SCHEMBL4260875 0.77 TLR9 (0.52) CYP19A1FBP1SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629375-B2 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2009-12-08 US disclosed
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2006-08-10 US disclosed
US-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER INC. 2005-06-30 US disclosed
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2005-05-26 US disclosed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 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 (4 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-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP19A1 2245/4885CYP1A1 1550/4885CYP1B1 1660/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP19A1 2245/4885CYP1A1 1550/4885CYP1B1 1660/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP19A1 2245/4885CYP1A1 1550/4885CYP1B1 1660/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP19A1 2245/4885CYP1A1 1550/4885CYP1B1 1660/4885

“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.