SCHEMBL5042776

SCHEMBL5042776

COc1ccc(C=CC(=O)OC2CC3CCC2(C)C3(C)C)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.79
MAPT P10636 4/20 0.75
NPSR1 Q6W5P4 2/20 0.75
KDM4E B2RXH2 1/20 0.75
GAA P10253 1/20 0.75
XBP1 P17861 1/20 0.75
ELANE P08246 2/20 0.72
KMT2A Q03164 4/20 0.51
MAPK1 P28482 2/20 0.51
MEN1 O00255 3/20 0.48
HTT P42858 2/20 0.47
CYP19A1 P11511 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
F3 P13726 1/20 0.46
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45
RAB9A P51151 1/20 0.44

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
SCHEMBL5042773 1.00 CYP2C19 (0.79) CYP2C19MAPTNPSR1KDM4EGAA
SCHEMBL29583383 0.89 CYP2C19 (0.80) CYP2C19MAPTNPSR1KDM4EGAA
SCHEMBL29690272 0.89 CYP2C19 (0.80) CYP2C19MAPTNPSR1KDM4EGAA
SCHEMBL5048033 0.89 CYP2C19 (0.80) CYP2C19MAPTNPSR1KDM4EGAA
SCHEMBL5048036 0.89 CYP2C19 (0.80) CYP2C19MAPTNPSR1KDM4EGAA
SCHEMBL31211469 0.89 CYP2C19 (0.80) CYP2C19MAPTNPSR1KDM4EGAA
SCHEMBL16710294 0.88 CYP2C19 (1.00) CYP2C19MAPTNPSR1KDM4EGAA
SCHEMBL8925834 0.88 CYP2C19 (1.00) CYP2C19MAPTNPSR1KDM4EGAA
SCHEMBL28551481 0.88 CYP2C19 (1.00) CYP2C19MAPTNPSR1KDM4EGAA
SCHEMBL4237838 0.88 CYP2C19 (1.00) CYP2C19MAPTNPSR1KDM4EGAA

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-7425320-B2 Use of guaiol for treating the skin CIBA SPECIALTY CHEMICALS CORP (US) 2008-09-16 US disclosed
US-20050058610-A1 Cosmetic mixtures containing ultraviolet radiation absorber and decoloring agents CIBA SPECIALTY CHEMICALS CORP. 2005-03-17 US disclosed
EP-1432400-A1 USE OF GUAIOL FOR TREATING THE SKIN Ciba SC Holding AG (CH) 2004-06-30 EP disclosed
WO-2003024417-A1 USE OF GUAIOL FOR TREATING THE SKIN CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-03-27 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 (1 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-20050058610-A1 Cosmetic mixtures containing ultraviolet radiation absorber and decoloring agents TYR, MC1R, UNG CYP2C19 688/4885MAPT 673/4885NPSR1 2582/4885

“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.