SCHEMBL10205487

SCHEMBL10205487

c1coc(COCCc2ccoc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 2/20 0.37
CYP2D6 P10635 1/20 0.37
LTA4H P09960 2/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
HTT P42858 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
MAPK1 P28482 1/20 0.32
CETP P11597 1/20 0.32
ALOX15 P16050 2/20 0.32
CYP3A4 P08684 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 2/20 0.32
CYP2C19 P33261 2/20 0.32

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
SCHEMBL15087211 0.78 ALDH1A1 (0.52) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL6002653 0.75 CETP (0.33) LTA4HSLC1A3SLC1A2SLC1A1CETP
SCHEMBL891457 0.74 ALDH1A1 (0.55) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL8206271 0.73 ALDH1A1 (0.47) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL1287680 0.73 ALDH1A1 (0.47) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL10485701 0.72 ALDH1A1 (0.53) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL2092743 0.72 CETP (0.40) ALDH1A1KDM4EMAPTLTA4HSLC1A3
SCHEMBL25285101 0.72 ALDH1A1 (0.46) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL1845028 0.72 ALDH1A1 (0.50) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL10942355 0.72 ALDH1A1 (0.50) ALDH1A1GAAKDM4ELMNAMAPT

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-9937115-B2 Oral care compositions with improved flavor THE PROCTER & GAMBLE COMPANY (US) 2018-04-10 US disclosed
US-9937115-B2 Oral care compositions with improved flavor THE PROCTER & GAMBLE COMPANY (US) 2018-04-10 US disclosed
US-20120082628-A1 Oral Care Compositions With Improved Flavor THE PROCTER & GAMBLE COMPANY 2012-04-05 US disclosed
US-20120082628-A1 Oral Care Compositions With Improved Flavor THE PROCTER & GAMBLE COMPANY 2012-04-05 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 (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-20120082628-A1 Oral Care Compositions With Improved Flavor TRPA1, TAS2R40, TAS2R30 ALDH1A1 1558/4885GAA 2266/4885KDM4E 1551/4885

“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.