SCHEMBL798973

SCHEMBL798973

CC(C)CCOc1ccccc1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
NISCH Q9Y2I1 1/20 0.49
IDO1 P14902 1/20 0.48
TLR8 Q9NR97 1/20 0.46
MCHR1 Q99705 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL18309270 0.88 L3MBTL1 (0.60) HTTL3MBTL1MEN1KMT2ACYP1A2
1,2-Diisopentoxybenzene SCHEMBL2843498 0.86 HTT (0.62) HTTL3MBTL1ALDH1A1LMNAIDO1
1-Isopentoxy-2-Ethoxybenzene SCHEMBL2844377 0.82 L3MBTL1 (0.56) HTTL3MBTL1CYP1A2CYP2C19ALDH1A1
SCHEMBL18309273 0.82 L3MBTL1 (0.55) HTTL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL2903384 0.82 L3MBTL1 (0.55) HTTL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL27555722 0.82 HTT (0.49) HTTL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL10224215 0.81 L3MBTL1 (0.58) HTTL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL6479795 0.81 L3MBTL1 (0.54) HTTL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL9226775 0.81 L3MBTL1 (0.58) L3MBTL1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1290474 0.81 KDM4E (0.61) L3MBTL1MEN1KMT2ACYP1A2CYP3A4

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 HTT 2761/4885L3MBTL1 1733/4885MEN1 2694/4885

“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.