SCHEMBL5116069

SCHEMBL5116069

CCCc1csc(CO)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.37
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
DAO P14920 2/20 0.33
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32
RELA Q04206 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL20247645 0.85 ALDH1A1 (0.39) LTB4RCNR1CNR2NPC1TP53
SCHEMBL5102999 0.83 ALDH1A1 (0.38) LTB4RDAONPC1TP53RAB9A
SCHEMBL8171670 0.83 DAO (0.44) LTB4RCNR1CNR2DAONPC1
SCHEMBL3246236 0.83
SCHEMBL20620966 0.80
SCHEMBL5781426 0.77 LTB4R (0.43) LTB4RDAONPC1TP53RAB9A
SCHEMBL24345841 0.75 DAO (0.46) LTB4RDAOTP53RAB9ASMN1; SMN2
SCHEMBL11926430 0.74 ALDH1A1 (0.38) LTB4RDAONPC1TP53RAB9A
SCHEMBL5102754 0.74
SCHEMBL10676548 0.73 ALDH1A1 (0.36) CNR2LMNAALDH1A1MEN1HPGD

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-7342116-B2 Process for producing heterocyclic aldehyde KOEI CHEMICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound KOEI CHEMICAL CO., LTD. (JP) 2005-06-09 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-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 LTB4R 1488/4885CNR1 658/4885CNR2 531/4885

“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.