SCHEMBL13601793

SCHEMBL13601793

COc1cc(OC)c(C(C)=O)c(O)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 1.00
MAPK1 P28482 2/20 0.53
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
FASN P49327 1/20 0.53
LMNA P02545 1/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
GFER P55789 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.44
GAA P10253 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 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
SCHEMBL9752762 0.88 CYP3A4 (0.78) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL28132534 0.87 CYP3A4 (0.77) CYP3A4MAPK1USP2SMN1; SMN2FASN
SCHEMBL31055010 0.87 CYP3A4 (0.77) CYP3A4MAPK1USP2SMN1; SMN2FASN
SCHEMBL679428 0.81 CYP3A4 (0.68) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL11420620 0.80 CYP3A4 (0.67) CYP3A4MAPK1USP2SMN1; SMN2FASN
SCHEMBL18928951 0.78 CYP3A4 (0.65) CYP3A4MAPK1USP2SMN1; SMN2FASN
SCHEMBL9752687 0.78 CYP3A4 (0.65) CYP3A4MAPK1USP2SMN1; SMN2FASN
SCHEMBL684391 0.78 CYP3A4 (0.64) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL3660100 0.78 CYP3A4 (0.63) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL29664009 0.76 CYP3A4 (0.61) CYP3A4FASNKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3808348-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) Biogen MA Inc. (US) 2021-04-21 EP disclosed
EP-3025714-B9 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN MA INC (US) 2020-11-18 EP disclosed
EP-3025714-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN MA INC (US) 2020-07-15 EP disclosed
US-20160151390-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN MA INC. (US) 2016-06-02 US disclosed
EP-3025714-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) Biogen MA Inc. (US) 2016-06-01 EP disclosed
US-9233107-B2 Compositions and methods for the treatment of progressive multifocal leukoencephalopathy (PML) BIOGEN MA INC. (US) 2016-01-12 US disclosed
US-20130183289-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN IDEC MA INC (US) 2013-07-18 US disclosed
US-20090312407-A1 Synthetic Flavonoids and Pharmaceutical Compositions and Therapeutic Methods of Treatment of Cancer and other Pathologies FLORIDA A&M UNIVERSITY 2009-12-17 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-20090312407-A1 Synthetic Flavonoids and Pharmaceutical Compositions and Therapeutic Methods of Treatment of Cancer and other Pathologies NRAS, KRAS, TP53 CYP3A4 140/4885MAPK1 2154/4885USP2 4579/4885

“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.