SCHEMBL133521

SCHEMBL133521

CC(=O)Oc1ccc(-c2coc3c(Br)c(C)ccc3c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ TP53 P04637 3/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ ALOX15 P16050 3/20 0.46
▸ ALOX12 P18054 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.44
▸ XDH P47989 2/20 0.42
▸ PFKFB3 Q16875 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAOB P27338 3/20 0.41
▸ ALDH2 P05091 3/20 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
SCHEMBL151650 0.88 MAPT (0.54) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL12055305 0.88 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL2069324 0.83 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL2069790 0.80 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL2070396 0.78 MAPT (0.65) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL1724568 0.76 MAPT (0.85) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL2604722 0.76 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL7509276 0.75 MAPT (0.58) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL4434901 0.75 RAB9A (0.78) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL329814 0.75 XDH (0.55) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059176-A1 ANTI-INFLAMMATORY MODALITIES MARSHALL EDWARDS, INC. (US) 2012-03-08 — — 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 (1 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-20120059176-A1 ANTI-INFLAMMATORY MODALITIES TNF, PTGES, NFKBIA SMN1; SMN2 4339/4885ALDH1A1 2628/4885MAPT 1933/4885

“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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