SCHEMBL5032098

SCHEMBL5032098

CCCCOC(=O)NCC1(C(=O)O)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.46
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
EPHX1 P07099 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14811020 0.85 ACHE (0.44) ACHESLC6A5CYP2C19NPC1MAPT
SCHEMBL4699364 0.79 CYP2C19 (0.38) ACHECYP2C19MAPT
SCHEMBL11715641 0.78 LMNA (0.49) KMT2AMEN1CYP2C19MAPT
SCHEMBL11716764 0.77 LMNA (0.48) KMT2AMEN1CYP2C19
SCHEMBL526390 0.77 KMT2A (0.41) ACHEKMT2AMEN1EPHX1NPC1
SCHEMBL4053495 0.77 KMT2A (0.41) ACHEKMT2AMEN1EPHX1NPC1
SCHEMBL7536987 0.76 CYP2C19 (0.47) KMT2AMEN1CYP2C19MAPT
SCHEMBL11718886 0.76 FAAH (0.50) KMT2AMEN1
SCHEMBL11712892 0.76 FAAH (0.50) KMT2AMEN1
SCHEMBL30310803 0.76 FAAH (0.50) KMT2AMEN1

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-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 US disclosed
WO-2008144728-A1 CONJUGATES WHICH BIND A BLOOD PROTEIN SUCH AS HUMAN SERUM ALBUMIN AND METHODS OF USING THE SAME IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2008-11-27 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-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 ACHE 69/4885KMT2A 2213/4885MEN1 1667/4885

“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.