SCHEMBL3366462

SCHEMBL3366462

CCCCCCCNCC=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.58
ADH1B P00325 2/20 0.58
ADH1C P00326 2/20 0.58
ADH1A P07327 2/20 0.58
ADH7 P40394 2/20 0.58
ADH4 P08319 1/20 0.58
TSHR P16473 2/20 0.57
ALDH1A1 P00352 1/20 0.57
KDM1A O60341 3/20 0.50
S1PR2 O95136 5/20 0.47
S1PR4 O95977 5/20 0.47
S1PR1 P21453 5/20 0.47
S1PR3 Q99500 5/20 0.47
S1PR5 Q9H228 1/20 0.47
FAAH O00519 2/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL6567298 1.00 EPHX1 (0.58) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL1462499 1.00 EPHX1 (0.58) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL8956839 1.00 EPHX1 (0.58) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL9400784 1.00 EPHX1 (0.58) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL10809979 1.00 EPHX1 (0.58) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL23929272 1.00 EPHX1 (0.58) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL988701 1.00 EPHX1 (0.58) EPHX1ADH1BADH1CADH1AADH7
Hydrochloric Acid SCHEMBL8615469 0.98 EPHX1 (0.56) EPHX1ADH1BADH1CADH1AADH7
Hydrochloric Acid SCHEMBL875477 0.98 EPHX1 (0.56) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL1462485 0.97

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-20100041622-A1 Compositions containing aminoalkanes and aminoalkane derivatives VIRUN, INC. 2010-02-18 US disclosed
WO-2010019255-A1 COMPOSITIONS CONTAINING AMINOALKANES AND AMINOALKANE DERIVATIVES VIRUN, INC. (US) 2010-02-18 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-20100041622-A1 Compositions containing aminoalkanes and aminoalkane derivatives TAAR5, PDE3A, PDE2A EPHX1 1852/4885ADH1B 1211/4885ADH1C 285/4885

“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.