SCHEMBL829465

SCHEMBL829465

Cc1ccc(C(F)(F)F)cc1B(O)OC(C)(C)C(C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PDE2A O00408 2/20 0.33
MGLL Q99685 2/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.32
MCL1 Q07820 1/20 0.31
CFTR P13569 1/20 0.31
KIF11 P52732 1/20 0.30
NOTUM Q6P988 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
F10 P00742 1/20 0.30

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
SCHEMBL830482 0.82
SCHEMBL829759 0.81 PDE2A (0.33) PDE2A
SCHEMBL1921500 0.79 CASP1 (0.38) KDM4EALDH1A1
SCHEMBL828716 0.78 MEN1 (0.31) MEN1KMT2A
SCHEMBL830424 0.78 CYP3A4 (0.33) PDE2A
SCHEMBL29427029 0.77 MGLL (0.48) MEN1KMT2APDE2AMGLLORAI1
SCHEMBL4841354 0.77 MGLL (0.48) MEN1KMT2APDE2AMGLLORAI1
SCHEMBL4597139 0.77 PPARA (0.37) PDE2A
SCHEMBL16648469 0.76 PTGDR2 (0.34) PDE2A
SCHEMBL22684752 0.74 ENPP2 (0.33) ORAI1ORAI2ORAI3

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
EP-2099807-B1 OXIDATION RESISTANT INDICATOR MOLECULES SENSEONICS INC (US) 2014-01-01 EP disclosed
US-8143068-B2 Oxidation resistant indicator molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2012-03-27 US disclosed
US-20110081727-A1 Oxidation Resistant Indicator Molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2011-04-07 US disclosed
US-7851225-B2 Oxidation resistant indicator molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2010-12-14 US disclosed
EP-2099807-A2 OXIDATION RESISTANT INDICATOR MOLECULES Sensors For Medicine And Science, Inc. (US) 2009-09-16 EP disclosed
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2008-06-19 US disclosed
WO-2008066921-A2 OXIDATION RESISTANT INDICATOR MOLECULES SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2008-06-05 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-20110081727-A1 Oxidation Resistant Indicator Molecules AOX1, GPX4, SQOR MEN1 4586/4885KMT2A 3984/4885PDE2A 4157/4885
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES AOX1, GPX4, SQOR MEN1 4586/4885KMT2A 3984/4885PDE2A 4157/4885

“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.