SCHEMBL13435256

SCHEMBL13435256

Nc1ccccc1OCCOCCOc1ccccc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
ALDH1A1 P00352 6/20 0.59
NCF1 P14598 10/20 0.51
CYBB P04839 1/20 0.51
NOX5 Q96PH1 1/20 0.51
KMT2A Q03164 1/20 0.50
PTK2B Q14289 1/20 0.50
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.48
APP P05067 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ADRA2B P18089 1/20 0.48
PTGS1 P23219 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RECQL P46063 1/20 0.47

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
SCHEMBL13531826 1.00 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19ALDH1A1NCF1
SCHEMBL17537502 1.00 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19ALDH1A1NCF1
SCHEMBL29708563 0.93 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19ALDH1A1NCF1
SCHEMBL864648 0.93 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19ALDH1A1NCF1
SCHEMBL19535300 0.92 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19ALDH1A1NCF1
SCHEMBL18217368 0.91 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19ALDH1A1NCF1
Potassium SCHEMBL30586884 0.91 CYP1A2 (0.69) CYP1A2CYP2C9CYP2C19ALDH1A1NCF1
SCHEMBL17669121 0.90 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19ALDH1A1NCF1
SCHEMBL17688025 0.90 ALDH1A1 (0.66) CYP1A2CYP2C9CYP2C19ALDH1A1NCF1
SCHEMBL10584222 0.90 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19ALDH1A1NCF1

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-20100068748-A1 Fluorescent Ion Indicators for Cadmium and Lanthanide Ion Detection INVITROGEN CORPORATION (US) 2010-03-18 US disclosed
US-20100068748-A1 Fluorescent Ion Indicators for Cadmium and Lanthanide Ion Detection INVITROGEN CORPORATION (US) 2010-03-18 US disclosed
WO-2007073562-A2 FLUORESCENT ION INDICATORS FOR CADMIUM AND LANTHANIDE ION DETECTION INVITROGEN CORPORATION (US) 2007-06-28 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-20100068748-A1 Fluorescent Ion Indicators for Cadmium and Lanthanide Ion Detection SLC30A6, SLC39A14, SLC39A7 CYP1A2 4302/4885CYP2C9 4258/4885CYP2C19 4517/4885

“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.