SCHEMBL9906251

SCHEMBL9906251

CCCCC1Oc2cc(F)c(OC(=O)N3CCCCC3C(=O)O)cc2O1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PRSS1 P07477 6/20 0.37
▸ TMPRSS15 P98073 6/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ACE P12821 3/20 0.35
▸ ACE2 Q9BYF1 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL9906240 0.90 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2L3MBTL1PRSS1TMPRSS15
SCHEMBL9906250 0.83 L3MBTL1 (0.38) ALDH1A1SMN1; SMN2L3MBTL1RAB9AACE
SCHEMBL9906239 0.74 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2L3MBTL1RAB9AACE
SCHEMBL7811720 0.68 RAB9A (0.57) ALDH1A1SMN1; SMN2L3MBTL1RAB9AACE
SCHEMBL3710312 0.68 RAB9A (0.57) ALDH1A1SMN1; SMN2L3MBTL1RAB9AACE
SCHEMBL7815566 0.68 RAB9A (0.57) ALDH1A1SMN1; SMN2L3MBTL1RAB9AACE
SCHEMBL9176416 0.68 RAB9A (0.60) ALDH1A1SMN1; SMN2L3MBTL1RAB9AACE
SCHEMBL395833 0.66 RAB9A (0.65) ALDH1A1SMN1; SMN2RAB9AACEACE2
SCHEMBL9668555 0.66 RAB9A (0.65) ALDH1A1SMN1; SMN2RAB9AACEACE2
SCHEMBL2634067 0.64 RAB9A (0.62) ALDH1A1SMN1; SMN2L3MBTL1RAB9AACE

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-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-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 ALDH1A1 787/4885SMN1; SMN2 2546/4885L3MBTL1 2073/4885
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE REN, PCSK9, COMT ALDH1A1 773/4885SMN1; SMN2 1684/4885L3MBTL1 2272/4885

“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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