SCHEMBL799117

SCHEMBL799117

COc1ncc(C(C)C)cc1Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 1/20 0.38
TTR P02766 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
EGFR P00533 1/20 0.37
PIK3CA P42336 1/20 0.37
FYN P06241 1/20 0.36
FGFR2 P21802 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSPO P30536 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.35

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
SCHEMBL799306 0.80 PIK3CA (0.38) ALDH1A1EGFRPIK3CA
SCHEMBL5991139 0.78 PLAU (0.54) MAPTCASP1L3MBTL1LMNASMN1; SMN2
SCHEMBL16248223 0.77 MAPK8 (0.36) MAPTL3MBTL1LMNASMN1; SMN2LTA4H
SCHEMBL10080965 0.76 TRPM8 (0.33) MAPTCASP1SMN1; SMN2ALDH1A1EGFR
SCHEMBL16248216 0.75 MAPT (0.47) MAPTCASP1SMN1; SMN2MAPK1KMT2A
SCHEMBL10080955 0.74 ALDH1A1 (0.37) MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL15472268 0.74 TTR (0.55) MAPTL3MBTL1SMN1; SMN2LTA4HTTR
SCHEMBL5992552 0.74 ALDH1A1 (0.50) MAPTL3MBTL1LMNASMN1; SMN2LTA4H
SCHEMBL10141674 0.73 GRIN1 (0.36) LMNASMN1; SMN2MAPK1PIK3CACYP1A2
SCHEMBL10141668 0.72 FPR2 (0.43) MAPTCASP1SMN1; SMN2ALDH1A1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 MAPT 2574/4885CASP1 2402/4885L3MBTL1 1733/4885

“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.