SCHEMBL5915005

SCHEMBL5915005

COC(=O)N(C)CCC(OC(C)=O)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CACNA2D1 P54289 1/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 6/20 0.35
SLC6A3 Q01959 6/20 0.35
ALOX5 P09917 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34

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
SCHEMBL5915053 1.00 KDM4E (0.38) KDM4ELMNATP53POLBTHRB
SCHEMBL5915062 0.91 KDM4E (0.38) KDM4ELMNATP53POLBTHRB
SCHEMBL5915085 0.91 KDM4E (0.38) KDM4ELMNATP53POLBTHRB
SCHEMBL5914976 0.91 KDM4E (0.38) KDM4ELMNATP53POLBTHRB
SCHEMBL5914923 0.89 ALOX5 (0.37) KDM4ELMNATP53POLBTHRB
SCHEMBL5914960 0.89 ALOX5 (0.37) KDM4ELMNATP53POLBTHRB
SCHEMBL5915001 0.88 CACNA2D1 (0.38) KDM4ELMNATP53POLBTHRB
SCHEMBL5914989 0.88 CACNA2D1 (0.38) KDM4ELMNATP53POLBTHRB
SCHEMBL5915051 0.88 CACNA2D1 (0.38) KDM4ELMNATP53POLBTHRB
SCHEMBL5914973 0.88 POLB (0.37) KDM4ELMNATP53POLBTHRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167278-A1 Propanolamine derivatives, process for preparation of 3-n-methylamino-1-(2-thienyl)-1-propanols and process for preparation of propanolamine derivatives MITSUBISHI RAYON CO. LTD. (JP) 2006-07-27 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-20060167278-A1 Propanolamine derivatives, process for preparation of 3-n-methylamino-1-(2-thienyl)-1-propanols and process for preparation of propanolamine derivatives ADRA1A, ADRB1, ADRA1D KDM4E 3092/4885LMNA 3203/4885TP53 4870/4885

“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.