SCHEMBL4254439

SCHEMBL4254439

COc1ccc(C=Cc2ccc(NC(C)=O)cc2)c(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.59
CYP1A1 P04798 3/20 0.57
CYP1B1 Q16678 3/20 0.57
ABCG2 Q9UNQ0 1/20 0.51
MAPT P10636 3/20 0.50
TP53 P04637 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
MITF O75030 1/20 0.46
HTT P42858 1/20 0.46
PAX8 Q06710 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 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
SCHEMBL3745251 0.84 KMT2A (0.54) CYP19A1CYP1A1CYP1B1ABCG2MEN1
SCHEMBL28802494 0.82 TUBB4A (0.63) CYP19A1MAPTMEN1KMT2AALDH1A1
SCHEMBL4261137 0.81 CYP19A1 (0.62) CYP19A1CYP1A1CYP1B1ABCG2MAPT
SCHEMBL9363281 0.81 TUBB1 (0.64) CYP1A1CYP1B1ABCG2MAPTMEN1
SCHEMBL9363275 0.81 TUBB1 (0.64) CYP1A1CYP1B1ABCG2MAPTMEN1
SCHEMBL21933243 0.80 SMN1; SMN2 (0.60) CYP19A1CYP1A1CYP1B1MAPTTP53
SCHEMBL4254562 0.79 CYP19A1 (0.64) CYP19A1CYP1A1CYP1B1ABCG2TP53
SCHEMBL4258200 0.78 CYP19A1 (0.59) CYP19A1CYP1A1CYP1B1ABCG2MAPT
SCHEMBL10944710 0.77 SMN1; SMN2 (0.64) CYP1A1MAPTMEN1KMT2AALDH1A1
SCHEMBL7941711 0.77 SMN1; SMN2 (0.64) CYP1A1MAPTMEN1KMT2AALDH1A1

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.