SCHEMBL478309

SCHEMBL478309

COCCOc1ccccc1-c1ccccc1OCCOC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.56
ADRB2 P07550 3/20 0.56
KCNN4 O15554 1/20 0.50
AR P10275 2/20 0.49
KDM4E B2RXH2 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
ADRB1 P08588 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 2/20 0.45
JAK2 O60674 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL20713171 0.90 ADRB2 (0.49) HTR7ADRB2KCNN4ARKDM4E
SCHEMBL27555571 0.89 GAA (0.55) HTR7ADRB2KCNN4ARKDM4E
SCHEMBL2974587 0.88 MAPT (0.56) ADRB2KDM4EL3MBTL1RAB9AGAA
SCHEMBL10528636 0.88 ADRB2 (0.73) HTR7ADRB2KDM4EL3MBTL1ADRB1
SCHEMBL5318074 0.82 L3MBTL1 (0.61) L3MBTL1MAPK1RAB9ALMNAMAPT
SCHEMBL4101620 0.82 L3MBTL1 (0.61) ADRB2ARKDM4EL3MBTL1ADRB1
SCHEMBL5349206 0.82 L3MBTL1 (0.61) ADRB2ARKDM4EL3MBTL1ADRB1
SCHEMBL20703665 0.82 ADRB2 (0.56) HTR7ADRB2KCNN4ARKDM4E
SCHEMBL21222941 0.80 NCF1 (0.42) HTR7ADRB2KCNN4
SCHEMBL24615167 0.80 L3MBTL1 (0.66) KDM4EL3MBTL1RAB9AGAAJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822520-B2 Substituted bicyclic HCV inhibitors PRESIDIO PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8709999-B2 Substituted bicyclic HCV inhibitors PRESIDIO PHARMACEUTICALS, INC. (US) 2014-04-29 US disclosed
US-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
WO-2012040389-A2 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-03-29 WO disclosed
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
EP-2410841-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS Presidio Pharmaceuticals, Inc. (US) 2012-02-01 EP disclosed
WO-2010111673-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2010-09-30 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 (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-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 HTR7 3331/4885ADRB2 2853/4885KCNN4 4866/4885
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 HTR7 3331/4885ADRB2 2853/4885KCNN4 4866/4885

“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.