SCHEMBL16061842

SCHEMBL16061842

COC(=O)c1ccc([N+](=O)[O-])c(Oc2c(C)c(OCc3ccccc3)c(C)c(C)c2OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ POLB P06746 1/20 0.48
▸ MYC P01106 1/20 0.47
▸ MAX P61244 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ AR P10275 1/20 0.46
▸ PELP1 Q8IZL8 1/20 0.46
▸ CTSV O60911 1/20 0.44
▸ CTSL P07711 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ CFTR P13569 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ AKR1C3 P42330 2/20 0.42
▸ AKR1C2 P52895 2/20 0.42
▸ AKR1C1 Q04828 2/20 0.42

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
SCHEMBL527105 0.86 MYC (0.59) LMNAHPGDPOLBMYCMAX
SCHEMBL30082879 0.86 MYC (0.59) LMNAHPGDPOLBMYCMAX
SCHEMBL17525644 0.81 LMNA (0.52) LMNAHPGDMAPTKMT2AMEN1
SCHEMBL13257189 0.79 LMNA (0.61) LMNAHPGDPOLBMYCMAX
SCHEMBL751415 0.79 KMT2A (0.62) LMNAHPGDPOLBMAPTKMT2A
SCHEMBL23628886 0.78 AR (0.54) MYCMAXMAPTKMT2AMEN1
SCHEMBL16335619 0.78 MAPT (0.50) LMNAHPGDPOLBMAPTKMT2A
SCHEMBL2191978 0.76 MAPT (0.49) LMNAHPGDMYCMAXMAPT
SCHEMBL7342938 0.76 MYC (0.55) LMNAHPGDMYCMAXMAPT
SCHEMBL30892476 0.76 MYC (0.55) LMNAHPGDMYCMAXMAPT

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-9670170-B2 Resorufin derivatives for treatment of oxidative stress disorders BIOELECTRON TECHNOLOGY CORPORATION (US) 2017-06-06 — — US disclosed
US-20160039775-A1 RESORUFIN DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2016-02-11 — — US disclosed
EP-2970238-A1 RESORUFIN DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS Edison Pharmaceuticals, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014145118-A1 RESORUFIN DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS EDISON PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO disclosed
WO-2014145118-A1 RESORUFIN DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS EDISON PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO 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-20160039775-A1 RESORUFIN DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS TXNRD2, NDUFAB1, NDUFAF1 LMNA 2029/4885HPGD 180/4885POLB 1005/4885

“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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