SCHEMBL5048033

SCHEMBL5048033

CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)/C=C/c1ccc(O)cc1)C2

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.80
ELANE P08246 2/20 0.78
MAPT P10636 3/20 0.73
NPSR1 Q6W5P4 2/20 0.73
KDM4E B2RXH2 1/20 0.73
GAA P10253 1/20 0.73
XBP1 P17861 1/20 0.73
KMT2A Q03164 3/20 0.65
MAPK1 P28482 2/20 0.65
CYP19A1 P11511 2/20 0.48
MEN1 O00255 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
TYR P14679 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
SCHEMBL29583383 1.00 CYP2C19 (0.80) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL29690272 1.00 CYP2C19 (0.80) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL31211469 1.00 CYP2C19 (0.80) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL5048036 1.00 CYP2C19 (0.80) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL5042773 0.89 CYP2C19 (0.79) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL5042776 0.89 CYP2C19 (0.79) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL8925834 0.89 CYP2C19 (1.00) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL16710294 0.89 CYP2C19 (1.00) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL28551481 0.89 CYP2C19 (1.00) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL4237838 0.89 CYP2C19 (1.00) CYP2C19ELANEMAPTNPSR1KDM4E

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 688/4885ELANE 1064/4885MAPT 673/4885

“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.