SCHEMBL9906241

SCHEMBL9906241

COc1cc(/C=C/C(=O)Nc2cc3c(cc2OC(=O)CCCCC2CCSS2)OCO3)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ APP P05067 2/20 0.48
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM1A O60341 12/20 0.44
▸ TYR P14679 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ CA12 O43570 1/20 0.39

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
SCHEMBL15034431 0.91 MAPT (0.38) MAPTAPPRAB9ASMN1; SMN2HDAC3
SCHEMBL9906246 0.89 APP (0.49) MAPTAPPKDM1ATYRTRPV1
SCHEMBL15034449 0.79 BCHE (0.37) MAPTAPPCYP2C9TSHRHSD17B10
SCHEMBL15034474 0.77 BCHE (0.41) CYP2C9TSHRHSD17B10MEN1ALDH1A1
SCHEMBL8531711 0.75 MAPT (0.67) MAPTAPPRAB9ASMN1; SMN2KDM1A
SCHEMBL30016645 0.74 MAOB (0.46) MAPTCYP2D6CYP2C9TSHRHSD17B10
SCHEMBL13495590 0.72 KMT2A (0.48) CYP2C9TSHRHSD17B10MEN1ALDH1A1
SCHEMBL13827755 0.72 APP (0.48) MAPTAPPKDM1ATYRHDAC3
SCHEMBL13827464 0.70 APP (0.45) MAPTAPPKDM1ATYRHDAC3
SCHEMBL9906234 0.69 KMT2A (0.46) MAPTSMN1; SMN2CYP2C9TSHRHSD17B10

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 5 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
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 MAPT 1166/4885APP 1448/4885RAB9A 3374/4885
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE REN, PCSK9, COMT MAPT 701/4885APP 816/4885RAB9A 3417/4885

“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.

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