SCHEMBL4464522

SCHEMBL4464522

COc1cc(C)c(CCl)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
PTGS2 P35354 1/20 0.41
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
CA9 Q16790 1/20 0.39
CYP19A1 P11511 2/20 0.39
NQO2 P16083 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
TUBB1 Q9H4B7 1/20 0.36
ALOX5 P09917 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL11432281 0.86 ACHE (0.39) ACHEPTGS2MAPTCYP3A4CA9
SCHEMBL10751045 0.82 MEN1 (0.43) ACHEPTGS2MAPTCYP3A4ALDH1A1
SCHEMBL23045650 0.80 ACHE (0.45) ACHEPTGS2MAPTCYP3A4CA9
SCHEMBL28596719 0.80 ACHE (0.45) ACHEPTGS2MAPTCYP3A4CA9
SCHEMBL28472733 0.78 ALOX5 (0.45) ACHEPTGS2MAPTCYP3A4CA9
SCHEMBL15122172 0.78 ACHE (0.39) ACHEPTGS2MAPTCYP3A4CA9
SCHEMBL9509223 0.78 ACHE (0.39) ACHEPTGS2MAPTCYP3A4CA9
SCHEMBL6909575 0.77 PTGS2 (0.47) ACHEPTGS2MAPTCYP3A4CA9
SCHEMBL6311331 0.77 ALDH1A1 (0.46) MAPTCA9ALDH1A1TUBB1MEN1
SCHEMBL11422079 0.74 KMT2A (0.35) MAPTALDH1A1KDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528271-B2 Intermediates, process for their preparation and synthesis of 1,4-benzoquiones BERGEN TEKNOLOGIOVERFORING AS (NO) 2009-05-05 US disclosed
WO-2008140328-A2 NOVEL INTERMEDIATES, PROCESS FOR THEIR PREPARATION AND SYNTHESIS OF 1,4-BENZOQUINONES BERGEN TEKNOLOGIOVERFORING AS (NO) 2008-11-20 WO disclosed
US-20080287702-A1 Novel intermediates, process for their preparation and synthesis of 1, 4-benzoquiones BERGEN TEKNOLOGIOVERFORING AS (NO) 2008-11-20 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-20080287702-A1 Novel intermediates, process for their preparation and synthesis of 1, 4-benzoquiones SQOR, NDUFB10, UQCRB ACHE 3353/4885PTGS2 567/4885MAPT 4788/4885

“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.