SCHEMBL4261682

SCHEMBL4261682

COc1cc(C=Cc2ccc(C#N)cc2)cc(OC)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 5/20 0.59
ABL1 P00519 1/20 0.56
BCR P11274 1/20 0.56
PTGS1 P23219 2/20 0.50
PTGS2 P35354 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP1A1 P04798 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2B6 P20813 1/20 0.50
PKM P14618 1/20 0.49
TTR P02766 1/20 0.49
MAPT P10636 3/20 0.47
NFE2L2 Q16236 1/20 0.47
APP P05067 1/20 0.47
TUBB4A P04350 3/20 0.46
TUBB P07437 3/20 0.46
TUBA3C P0DPH7 3/20 0.46
TUBA1B P68363 3/20 0.46

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
SCHEMBL4261681 1.00 TUBB1 (0.59) TUBB1ABL1BCRPTGS1PTGS2
SCHEMBL14000544 0.86 TUBB1 (0.76) TUBB1ABL1BCRPTGS1PTGS2
SCHEMBL6844172 0.86 TUBB1 (0.76) TUBB1ABL1BCRPTGS1PTGS2
SCHEMBL3671817 0.86 NFE2L2 (0.67) CYP1A2CYP2D6PKMTTRNFE2L2
SCHEMBL3671816 0.86 NFE2L2 (0.67) CYP1A2CYP2D6PKMTTRNFE2L2
SCHEMBL17332394 0.85 TUBB1 (0.65) TUBB1PTGS2CYP1A2CYP1A1TUBB4A
SCHEMBL17332395 0.85 TUBB1 (0.65) TUBB1PTGS2CYP1A2CYP1A1TUBB4A
SCHEMBL17938776 0.81 MAPT (0.69) TUBB1ABL1BCRPTGS1PTGS2
SCHEMBL17938777 0.81 MAPT (0.69) TUBB1ABL1BCRPTGS1PTGS2
SCHEMBL16372856 0.80 ABL1 (0.80) TUBB1ABL1BCRPTGS1PTGS2

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 TUBB1 1806/4885ABL1 4324/4885BCR 4121/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 TUBB1 1806/4885ABL1 4324/4885BCR 4121/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 TUBB1 1806/4885ABL1 4324/4885BCR 4121/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 TUBB1 1806/4885ABL1 4324/4885BCR 4121/4885

“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.