SCHEMBL9906250

SCHEMBL9906250

CCCCC1Oc2cc(OC(=O)N3CCCCC3C(=O)O)c(C(=O)N3CCNCC3)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RAB9A P51151 2/20 0.32
▸ ACE P12821 4/20 0.32
▸ ACE2 Q9BYF1 4/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CHEK1 O14757 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ DAPK3 O43293 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ PRKD3 O94806 1/20 0.30
▸ PAK4 O96013 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ NTRK1 P04629 1/20 0.30
▸ LCK P06239 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ CSF1R P07333 1/20 0.30

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
SCHEMBL9906239 0.92 ALDH1A1 (0.36) L3MBTL1ALDH1A1SMN1; SMN2RAB9AACE
SCHEMBL9906251 0.83 ALDH1A1 (0.41) L3MBTL1ALDH1A1SMN1; SMN2RAB9AACE
SCHEMBL9906240 0.74 ALDH1A1 (0.41) L3MBTL1ALDH1A1SMN1; SMN2RAB9AACE
SCHEMBL9906249 0.71 HTR1A (0.42) L3MBTL1ALDH1A1
SCHEMBL9906235 0.66 KMT2A (0.38) L3MBTL1ALDH1A1
SCHEMBL7815566 0.62 RAB9A (0.57) L3MBTL1ALDH1A1SMN1; SMN2RAB9AACE
SCHEMBL3710312 0.62 RAB9A (0.57) L3MBTL1ALDH1A1SMN1; SMN2RAB9AACE
SCHEMBL7811720 0.62 RAB9A (0.57) L3MBTL1ALDH1A1SMN1; SMN2RAB9AACE
SCHEMBL9176416 0.62 RAB9A (0.60) L3MBTL1ALDH1A1SMN1; SMN2RAB9AACE
SCHEMBL3710569 0.62 CA2 (0.52) ACE

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

“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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