SCHEMBL3360146

SCHEMBL3360146

CCCCCC(C)NCCC=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.53
ADH1C P00326 3/20 0.53
ADH1A P07327 3/20 0.53
ADH7 P40394 3/20 0.53
ADH4 P08319 2/20 0.53
TSHR P16473 3/20 0.45
EPHX1 P07099 1/20 0.42
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
TRPA1 O75762 1/20 0.39
DDAH1 O94760 1/20 0.39
GAPDH P04406 1/20 0.39
MAPT P10636 1/20 0.39
ADRB2 P07550 4/20 0.37
ALDH1A1 P00352 2/20 0.36
OPRM1 P35372 1/20 0.35

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
SCHEMBL7677961 0.84 ADH1B (0.46) ADH1BADH1CADH1AADH7ADH4
SCHEMBL3361816 0.82 LMNA (0.34) ADH1BADH1CADH1AADH7ADH4
SCHEMBL5387915 0.80 ADH1B (0.57) ADH1BADH1CADH1AADH7ADH4
SCHEMBL7678770 0.79 ADH1B (0.42) ADH1BADH1CADH1AADH7ADH4
SCHEMBL11225078 0.79 ADH1B (0.48) ADH1BADH1CADH1AADH7ADH4
SCHEMBL21887554 0.79 ADH1B (0.48) ADH1BADH1CADH1AADH7ADH4
SCHEMBL4795083 0.79 ADH1B (0.48) ADH1BADH1CADH1AADH7ADH4
SCHEMBL17808429 0.79 ADH1B (0.48) ADH1BADH1CADH1AADH7ADH4
SCHEMBL19185677 0.79 ADH1B (0.48) ADH1BADH1CADH1AADH7ADH4
SCHEMBL2496264 0.78 TSHR (0.47) ADH1BADH1CADH1AADH7ADH4

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 ADH1B 1211/4885ADH1C 285/4885ADH1A 160/4885

“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.