SCHEMBL13801188

SCHEMBL13801188

CN(C)CCOc1c2ccoc2cc2oc(=O)ccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 19/20 0.65
KCNA5 P22460 14/20 0.65
KCNA4 P22459 2/20 0.65
KCNA1 Q09470 2/20 0.65
KCNA2 P16389 2/20 0.65
KCNN4 O15554 1/20 0.65
THRB P10828 1/20 0.65
KCNA6 P17658 1/20 0.65
KCNMA1 Q12791 1/20 0.65
KCNH2 Q12809 1/20 0.65
KCNN1 Q92952 1/20 0.65
KCNA7 Q96RP8 1/20 0.65
KCNN2 Q9H2S1 1/20 0.65
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C9 P11712 2/20 0.63
TSHR P16473 2/20 0.63

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
SCHEMBL11471104 0.88 KCNA3 (0.64) KCNA3KCNA5KCNA4KCNA1KCNA2
Hydrochloric Acid SCHEMBL11473139 0.86 KCNA3 (0.62) KCNA3KCNA5KCNA4KCNA1KCNA2
SCHEMBL23406793 0.83 KCNA3 (0.69) KCNA3KCNA5KCNA4KCNA1KCNA2
SCHEMBL9122678 0.82 ALDH1A1 (0.71) KCNA3KCNA5KCNA4KCNA1KCNA2
SCHEMBL29503682 0.82 KCNA3 (0.71) KCNA3KCNA5KCNA4KCNA1KCNA2
SCHEMBL7754086 0.82 KCNA3 (0.71) KCNA3KCNA5KCNA4KCNA1KCNA2
SCHEMBL2586445 0.82 KCNA3 (0.76) KCNA3KCNA5KCNA4KCNA1KCNA2
SCHEMBL25981033 0.81 CYP2D6 (0.68) KCNA3KCNA5KCNA4KCNA1KCNA2
SCHEMBL4123742 0.80 KCNA3 (0.68) KCNA3KCNA5KCNA4KCNA1KCNA2
SCHEMBL2587752 0.79 KCNA3 (1.00) KCNA3KCNA5KCNA4KCNA1KCNA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071642-B2 Dimethyl amino ethyl ether psoralens and methods for their production and use RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-06 US disclosed
US-20090155224-A1 Dimethyl amino ethyl ether psoralens and methods for their production and use RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2009-06-18 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 (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-20090155224-A1 Dimethyl amino ethyl ether psoralens and methods for their production and use HLA-C, HLA-A, HLA-B KCNA3 4600/4885KCNA5 4697/4885KCNA4 4652/4885

“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.