SCHEMBL10123098

SCHEMBL10123098

O=C1CCC(=O)N1OOCc1c2oc3cc(O)ccc3nc-2ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.44
ESR1 P03372 9/20 0.34
ESR2 Q92731 9/20 0.34
LOXL2 Q9Y4K0 1/20 0.32
SNCA P37840 1/20 0.31
PTPN1 P18031 1/20 0.31
ACP1 P24666 1/20 0.31
STS P08842 1/20 0.31
NQO1 P15559 1/20 0.31
AKR1B1 P15121 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL1104938 0.77 APP (0.44) APPESR1ESR2SNCASTS
SCHEMBL13212103 0.70 APP (0.57) APPESR1ESR2SNCAAKR1B1
SCHEMBL15887430 0.69 APP (0.56) APPESR1ESR2SNCASTS
SCHEMBL10205581 0.68 APP (0.55) APPESR1ESR2SNCAAKR1B1
SCHEMBL12714431 0.65 ESR1 (0.40) APPESR1ESR2SNCA
SCHEMBL10123100 0.63 MEN1 (0.38) APPCYP1A2
SCHEMBL10264705 0.62 APP (0.44) APPESR1ESR2SNCAAKR1B1
SCHEMBL8066 0.62 APP (1.00) APPESR1ESR2SNCACYP1A2
SCHEMBL1104939 0.62 APP (0.46) APPESR1ESR2STSCYP1A2
SCHEMBL25232227 0.62 APP (0.46) APPESR1ESR2SNCACYP1A2

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-9846168-B2 Fluorescent metal ion indicators with large stokes shifts Life Technologies Corporation (US) 2017-12-19 US disclosed
US-20160305964-A1 Fluorescent Metal Ion Indicators with Large Stokes Shifts MOLECULAR PROBES, INC. 2016-10-20 US disclosed
US-9372181-B2 Fluorescent metal ion indicators with large stokes shifts Life Technologies Corporation (US) 2016-06-21 US disclosed
US-20140363824-A1 Fluorescent Metal Ion Indicators with Large Stokes Shifts MOLECULAR PROBES, INC. 2014-12-11 US disclosed
US-8785208-B2 Fluorescent metal ion indicators with large stokes shifts Life Technologies Corporation (US) 2014-07-22 US disclosed
US-20120009683-A1 Fluorescent Metal Ion Indicators with Large Stokes Shifts Life Technologies Corporation (US) 2012-01-12 US disclosed
US-20090029389-A1 FLUORESCENT METAL ION INDICATORS WITH LARGE STOKES SHIFTS INVITROGEN CORPORATION (US) 2009-01-29 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 (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-20120009683-A1 Fluorescent Metal Ion Indicators with Large Stokes Shifts SARAF, STIM1, ORAI1 APP 1748/4885ESR1 367/4885ESR2 1478/4885
US-20160305964-A1 Fluorescent Metal Ion Indicators with Large Stokes Shifts SARAF, STIM1, ORAI1 APP 1748/4885ESR1 367/4885ESR2 1478/4885

“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.