SCHEMBL968443

SCHEMBL968443

CC(=O)Oc1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
KDM4E B2RXH2 3/20 0.53
NR1H4 Q96RI1 1/20 0.52
IKBKB O14920 2/20 0.50
S1PR1 P21453 2/20 0.49
PTPN1 P18031 1/20 0.48
S1PR4 O95977 1/20 0.48
S1PR5 Q9H228 1/20 0.48
POLB P06746 2/20 0.48
TP53 P04637 2/20 0.48
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NOTUM Q6P988 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 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
SCHEMBL966219 0.92 KDM4E (0.52) RAB9ANPC1KDM4ENR1H4IKBKB
SCHEMBL966738 0.91 MAPT (0.53) RAB9ANPC1KDM4ENR1H4POLB
SCHEMBL3666640 0.90 NR1H4 (0.49) RAB9ANPC1KDM4ENR1H4IKBKB
SCHEMBL16436204 0.89 HSD17B10 (0.53) RAB9ANPC1KDM4ENR1H4POLB
SCHEMBL3089482 0.86 MAPT (0.49) RAB9ANPC1KDM4ENR1H4IKBKB
SCHEMBL15240754 0.86 NR1H4 (0.48) RAB9ANPC1KDM4ENR1H4IKBKB
SCHEMBL16675215 0.84 HSD17B10 (0.49) RAB9ANPC1KDM4ENR1H4POLB
SCHEMBL3724358 0.83 MAPT (0.54) RAB9ANPC1KDM4EPOLBTP53
SCHEMBL12918699 0.83 LMNA (0.65) RAB9ANPC1KDM4EPTPN1POLB
SCHEMBL12948083 0.83 KDM4E (0.44) RAB9ANPC1KDM4ENR1H4IKBKB

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-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety GEORGIA TECH RESEARCH CORPORATION (US) 2011-01-13 US disclosed
US-20110009584-A1 Romp-Polymerizable Electron Transport Materials Based On A Bis-Oxadiazole Moiety GEORGIA TECH RESEARCH CORPORATION (US) 2011-01-13 US disclosed
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 RAB9A 3795/4885NPC1 2287/4885KDM4E 4711/4885

“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.