SCHEMBL4256018

SCHEMBL4256018

CCC=CCCOC(=O)c1ccc(C=Cc2ccc(OC)c(OC)c2OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
CYP1A1 P04798 5/20 0.47
CYP1B1 Q16678 5/20 0.47
CYP1A2 P05177 4/20 0.41
CYP2D6 P10635 3/20 0.41
MAPT P10636 4/20 0.40
THRB P10828 2/20 0.40
TP53 P04637 2/20 0.40
NPSR1 Q6W5P4 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
XBP1 P17861 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
SCHEMBL4258450 0.85 GAA (0.47) CYP19A1ABCG2CYP1A1CYP1B1CYP1A2
SCHEMBL4254430 0.85 CYP19A1 (0.57) CYP19A1ABCG2CYP1A1CYP1B1CYP1A2
SCHEMBL4259584 0.85 CYP19A1 (0.57) CYP19A1ABCG2CYP1A1CYP1B1CYP1A2
SCHEMBL3676648 0.83 GAA (0.53) CYP19A1ABCG2CYP1A1CYP1B1MAPT
SCHEMBL4261137 0.80 CYP19A1 (0.62) CYP19A1ABCG2CYP1A1CYP1B1CYP1A2
SCHEMBL4256020 0.76 MAPT (0.42) ABCG2MAPTTHRBTP53NPC1
SCHEMBL4256016 0.76 MAPT (0.42) ABCG2MAPTTHRBTP53NPC1
SCHEMBL4254562 0.76 CYP19A1 (0.64) CYP19A1ABCG2CYP1A1CYP1B1CYP1A2
SCHEMBL4262785 0.75 MEN1 (0.55) CYP19A1ABCG2CYP1A1CYP1B1CYP1A2
SCHEMBL4257274 0.75 TRPV1 (0.57) CYP19A1ABCG2

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-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
EP-1435894-A4 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO PHARMACEUTICALS INC (US) 2005-07-06 EP 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
EP-1435894-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS Galileo Pharmaceuticals, Inc. (US) 2004-07-14 EP disclosed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 US disclosed
WO-2003009807-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO LABORATORIES, INC. (US) 2003-02-06 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 (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 2245/4885ABCG2 1613/4885CYP1A1 1550/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP19A1 2245/4885ABCG2 1613/4885CYP1A1 1550/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP19A1 2245/4885ABCG2 1613/4885CYP1A1 1550/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP19A1 2245/4885ABCG2 1613/4885CYP1A1 1550/4885

“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.