SCHEMBL15480835

SCHEMBL15480835

O=C(c1ccccc1)N(CCOCCOCCOCCOCCO)CCOCCOCCOCCOCCO

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 2/20 0.42
NAMPT P43490 2/20 0.41
MAPT P10636 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL15480836 1.00 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2GAANAMPT
SCHEMBL15480834 1.00 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2GAANAMPT
SCHEMBL15480837 1.00 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2GAANAMPT
SCHEMBL14947131 0.84 TDP1 (0.54) ALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL23754645 0.82 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29410885 0.81 NAMPT (0.57) ALDH1A1HPGDGAANAMPTMAPT
SCHEMBL154607 0.80 HPGD (0.53) ALDH1A1HPGDGAAMAPTHDAC1
SCHEMBL15480838 0.79 NAMPT (0.44) ALDH1A1HPGDSMN1; SMN2NAMPTHDAC1
Hydrochloric Acid SCHEMBL27871652 0.78 HPGD (0.52) ALDH1A1HPGDGAAMAPTHDAC1
Triethylene Glycol SCHEMBL2112665 0.78 TSHR (0.58) ALDH1A1HPGDSMN1; SMN2GAAMAPT

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-20160113271-A1 FORMULATION COMPONENT SYNGENTA LIMITED (GB) 2016-04-28 US disclosed
US-20140051580-A1 FORMULATION COMPONENT SYNGENTA LIMITED (GB) 2014-02-20 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-20160113271-A1 FORMULATION COMPONENT BCHE, HRH4, TBCB ALDH1A1 2068/4885HPGD 1945/4885SMN1; SMN2 3526/4885
US-20140051580-A1 FORMULATION COMPONENT BCHE, HRH4, TBCB ALDH1A1 2068/4885HPGD 1945/4885SMN1; SMN2 3526/4885

“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.