SCHEMBL684134

SCHEMBL684134

COc1cc(C)c(OC)c(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
CYP3A4 P08684 2/20 0.48
ACHE P22303 1/20 0.44
ALOX5 P09917 2/20 0.42
PTGS2 P35354 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
PKM P14618 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
LMNA P02545 1/20 0.42
ERN1 O75460 2/20 0.42
EPHX2 P34913 2/20 0.41

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
SCHEMBL3678118 0.86 MAPT (0.48) MAPTCYP3A4ACHEALOX5PTGS2
SCHEMBL14511731 0.84 CYP3A4 (0.50) MAPTCYP3A4ACHEALOX5CA9
SCHEMBL1808984 0.82 EPHX2 (0.49) MAPTCYP3A4ACHEALOX5PTGS2
SCHEMBL4127825 0.82 MAPT (0.54) MAPTCYP3A4ACHEALOX5PTGS2
SCHEMBL70823 0.81 MAPT (0.58) MAPTCYP3A4ACHEALOX5PTGS2
SCHEMBL2115984 0.80 CYP3A4 (0.46) MAPTCYP3A4ACHEALOX5PTGS2
Benzene SCHEMBL28616661 0.78 EPHX2 (0.46) MAPTCYP3A4ACHEALOX5PTGS2
Isoespintanol SCHEMBL17442883 0.78 AKR1B1 (0.42) MAPTCYP3A4ACHEPTGS2EPHX2
SCHEMBL4472439 0.77 EPHX2 (0.57) MAPTCYP3A4ACHEALOX5CA9
SCHEMBL29421891 0.77 EPHX2 (0.57) MAPTCYP3A4ACHEALOX5CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109276563-B Application of pharmaceutical composition in preparing medicine for treating or preventing individual infection virus 珠海市鑫展生物科技有限公司 2021-04-09 CN claimed
CN-109276563-B Application of pharmaceutical composition in preparing medicine for treating or preventing individual infection virus 珠海市鑫展生物科技有限公司 2021-04-09 CN disclosed
US-20130129832-A1 COGNITIVE IMPAIRMENT AMELIORANT TOHOKU UNIVERSITY (JP) 2013-05-23 US disclosed
US-20110287106-A1 COGNITIVE IMPAIRMENT AMELIORANT JAPAN ROYAL JELLEY CO., LTD. (JP) 2011-11-24 US disclosed
US-20110137050-A1 Process for the Preparation of 4,7-Dimethoxy-5-Methyl-1,3-Benzodioxole and Derivatives Thereof YONG CHUN PROSPEROUS BIOTECH CO. (TW) 2011-06-09 US disclosed
US-20110137050-A1 Process for the Preparation of 4,7-Dimethoxy-5-Methyl-1,3-Benzodioxole and Derivatives Thereof YONG CHUN PROSPEROUS BIOTECH CO. (TW) 2011-06-09 US disclosed
US-20110137050-A1 Process for the Preparation of 4,7-Dimethoxy-5-Methyl-1,3-Benzodioxole and Derivatives Thereof YONG CHUN PROSPEROUS BIOTECH CO. (TW) 2011-06-09 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 (3 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-20130129832-A1 COGNITIVE IMPAIRMENT AMELIORANT CHAT, ACHE, PSEN1 MAPT 7/4885CYP3A4 4098/4885ACHE 2/4885
US-20110137050-A1 Process for the Preparation of 4,7-Dimethoxy-5-Methyl-1,3-Benzodioxole and Derivatives Thereof DAO, F7, LOX MAPT 4875/4885CYP3A4 284/4885ACHE 3312/4885
US-20110287106-A1 COGNITIVE IMPAIRMENT AMELIORANT CHAT, ACHE, PSEN1 MAPT 7/4885CYP3A4 4098/4885ACHE 2/4885

“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.