SCHEMBL176290

SCHEMBL176290

CC(O)C(=O)NCCO.CC(O)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
PTGS1 P23219 1/20 0.38
KCNH2 Q12809 1/20 0.38
ANPEP P15144 2/20 0.37
DNPEP Q9ULA0 2/20 0.37
CNR1 P21554 1/20 0.36
ECE1 P42892 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CXCL8 P10145 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4949428 0.91
SCHEMBL49978 0.91
SCHEMBL28708501 0.91
Phosphoric Acid SCHEMBL1399081 0.83 MEN1 (0.56) MEN1KMT2AUSP2ALDH1A1MAPT
Pentane SCHEMBL7772281 0.82 MEN1 (0.54) MEN1KMT2AUSP2ALDH1A1MAPT
SCHEMBL8533026 0.79 KMT2A (0.67) MEN1KMT2AUSP2ALDH1A1MAPT
SCHEMBL27684618 0.79 MEN1 (0.50) MEN1KMT2AUSP2ALDH1A1MAPT
SCHEMBL1399165 0.78 PTGS1 (0.58) MEN1KMT2AUSP2ALDH1A1MAPT
SCHEMBL13567777 0.77 ALDH1A1 (0.78) MEN1KMT2AUSP2ALDH1A1MAPT
SCHEMBL15808518 0.76

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-20120058068-A1 COMPOSITIONS FOR REPAIRING AND RESTORING KERATIN-CONTAINING FIBERS KELLY VAN GOGH. LLC 2012-03-08 US disclosed
US-20120058067-A1 COMPOSITIONS FOR TREATING KERATIN-CONTAINING FIBERS AND MAINTAINING DYED FIBER COLOR INTEGRITY Kelly Van Gogh, LLC 2012-03-08 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-20120058068-A1 COMPOSITIONS FOR REPAIRING AND RESTORING KERATIN-CONTAINING FIBERS KRT18, COL14A1, COL2A1 MEN1 4321/4885KMT2A 2448/4885USP2 3272/4885
US-20120058067-A1 COMPOSITIONS FOR TREATING KERATIN-CONTAINING FIBERS AND MAINTAINING DYED FIBER COLOR INTEGRITY KRT18, COL1A1, COL14A1 MEN1 4723/4885KMT2A 1102/4885USP2 3469/4885

“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.