SCHEMBL9906246

SCHEMBL9906246

COc1cc(/C=C/C(=O)Oc2cc3c(cc2OC(=O)CCCCC2CCSS2)OCO3)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ EPHX2 P34913 1/20 0.42
▸ MAOB P27338 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ABCB1 P08183 2/20 0.41
▸ CYP2D6 P10635 3/20 0.40
▸ ALOX5 P09917 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TOP2A P11388 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ HSD11B1 P28845 2/20 0.40
▸ STAT3 P40763 2/20 0.40
▸ NFKB2 Q00653 2/20 0.40
▸ RELA Q04206 2/20 0.40

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
SCHEMBL15034449 0.90 BCHE (0.37) APPMAPTALDH1A1HPGDCYP2C9
SCHEMBL9906241 0.89 MAPT (0.48) APPMAPTMAOBALDH1A1GAA
SCHEMBL30016645 0.80 MAOB (0.46) MAPTEPHX2MAOBALDH1A1GAA
SCHEMBL9906232 0.79 APP (0.52) APPMAPTEPHX2MAOBALDH1A1
SCHEMBL15034431 0.79 MAPT (0.38) APPMAPTMAOBALDH1A1HPGD
SCHEMBL9906244 0.76 APP (0.67) APPMAPTEPHX2MAOBALDH1A1
SCHEMBL13495590 0.75 KMT2A (0.48) ALDH1A1CYP2C9TSHRHSD17B10MEN1
SCHEMBL9906236 0.74 MAPT (0.63) APPMAPTEPHX2MAOBALDH1A1
SCHEMBL15034474 0.73 BCHE (0.41) ALDH1A1CYP2C9TSHRHSD17B10MEN1
SCHEMBL8532988 0.73 APP (0.62) APPMAPTEPHX2MAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE INVASC THERAPEUTICS, INC. (US) 2013-06-20 — — US disclosed
US-8198317-B2 Methylenedioxy phenolic compounds and their use to treat disease THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-12 — — US disclosed
US-8198317-B2 Methylenedioxy phenolic compounds and their use to treat disease THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-12 — — US disclosed
WO-2010017323-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-11 — — WO disclosed
US-20100035849-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-11 — — US disclosed
US-20100035849-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-11 — — 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 (2 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-20100035849-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE REN, PCSK9, ALOX12 APP 1448/4885MAPT 1166/4885EPHX2 832/4885
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE REN, PCSK9, COMT APP 816/4885MAPT 701/4885EPHX2 559/4885

“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.

Send feedback