SCHEMBL3666640

SCHEMBL3666640

CC(=O)Oc1cc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.49
KDM4E B2RXH2 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
IKBKB O14920 2/20 0.47
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
S1PR1 P21453 2/20 0.46
S1PR4 O95977 1/20 0.46
S1PR5 Q9H228 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
PTPN1 P18031 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 3/20 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
SCHEMBL12948083 0.92 KDM4E (0.44) NR1H4KDM4ENPC1RAB9AIKBKB
SCHEMBL968443 0.90 RAB9A (0.53) NR1H4KDM4ENPC1RAB9AIKBKB
SCHEMBL966219 0.88 KDM4E (0.52) NR1H4KDM4ENPC1RAB9AIKBKB
SCHEMBL17612132 0.85 NPC1 (0.54) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL16675215 0.84 HSD17B10 (0.49) NR1H4KDM4ENPC1RAB9AMAPT
SCHEMBL3089482 0.83 MAPT (0.49) NR1H4KDM4ENPC1RAB9AIKBKB
SCHEMBL460873 0.82 NPC1 (0.68) NR1H4KDM4ENPC1RAB9AIKBKB
SCHEMBL12427246 0.82 NPC1 (0.68) NR1H4KDM4ENPC1RAB9AIKBKB
SCHEMBL966738 0.82 MAPT (0.53) NR1H4KDM4ENPC1RAB9AMAPT
SCHEMBL12570671 0.79 NPC1 (0.64) NR1H4KDM4ENPC1RAB9AIKBKB

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-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety GEORGIA TECH RESEARCH CORPORATION (US) 2011-01-13 US disclosed
EP-2234991-A1 ROMP-POLYMERIZABLE ELECTRON TRANSPORT MATERIALS BASED ON A BIS-OXADIAZOLE MOIETY Georgia Tech Research Corporation (US) 2010-10-06 EP disclosed
WO-2009080797-A1 ROMP-POLYMERIZABLE ELECTRON TRANSPORT MATERIALS BASED ON A BIS-OXADIAZOLE MOIETY GEORGIA TECH RESEARCH CORPORATION (US) 2009-07-02 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-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety SLCO1B3, SLCO4C1, SLCO2B1 NR1H4 2025/4885KDM4E 4711/4885NPC1 2287/4885

“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.