SCHEMBL4258186

SCHEMBL4258186

COc1ccc(C=Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.53
HTT P42858 2/20 0.52
MCOLN3 Q8TDD5 2/20 0.52
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A1 P04798 2/20 0.51
CYP1B1 Q16678 2/20 0.51
TSHR P16473 3/20 0.50
GPBAR1 Q8TDU6 1/20 0.49
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4265463 0.88 KDM4E (0.54) CYP19A1ALDH1A1CYP1A1CYP1B1TSHR
SCHEMBL4262069 0.83 GPBAR1 (0.64) HTTMCOLN3ALDH1A1KMT2ATSHR
SCHEMBL4262072 0.83 GPBAR1 (0.64) HTTMCOLN3ALDH1A1KMT2ATSHR
SCHEMBL4270209 0.81 GPBAR1 (0.66) HTTMCOLN3ALDH1A1KMT2ATSHR
SCHEMBL4270211 0.81 GPBAR1 (0.66) HTTMCOLN3ALDH1A1KMT2ATSHR
SCHEMBL4264948 0.78 CYP19A1 (0.67) CYP19A1CYP1A1CYP1B1
SCHEMBL4258184 0.73 MCOLN3 (0.48) HTTMCOLN3ALDH1A1KMT2ATSHR
SCHEMBL4258191 0.73 MCOLN3 (0.48) HTTMCOLN3ALDH1A1KMT2ATSHR
SCHEMBL7205052 0.72 GPBAR1 (0.88) HTTMCOLN3ALDH1A1TSHRGPBAR1
SCHEMBL5494166 0.72 CYP19A1 (0.73) CYP19A1CYP1A1CYP1B1

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 2245/4885HTT 320/4885MCOLN3 289/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP19A1 2245/4885HTT 320/4885MCOLN3 289/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP19A1 2245/4885HTT 320/4885MCOLN3 289/4885

“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.