SCHEMBL4557017

SCHEMBL4557017

COC(=O)N(CCOCCOCCOCCOCCOCCOCC(=O)O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SLC22A2 O15244 1/20 0.34
SLC22A3 O75751 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
GPR3 P46089 1/20 0.33
PTGIR P43119 3/20 0.33
PTGDR Q13258 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 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
SCHEMBL4557180 1.00 ALDH1A1 (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1ADRB2
SCHEMBL4557245 1.00 ALDH1A1 (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1ADRB2
SCHEMBL1593611 1.00 ALDH1A1 (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1ADRB2
SCHEMBL259017 1.00 ALDH1A1 (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1ADRB2
SCHEMBL1594270 0.93 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1ADRB2
SCHEMBL23327864 0.92 SMN1; SMN2 (0.36) ALDH1A1KMT2ASMN1; SMN2MEN1CA1
SCHEMBL17211371 0.90 ALDH1A1 (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1ADRB2
SCHEMBL2173884 0.90 ALDH1A1 (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1ADRB2
SCHEMBL20767261 0.90 ALDH1A1 (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1ADRB2
SCHEMBL17435149 0.90 ALDH1A1 (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1ADRB2

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-7598421-B2 Materials for the delivery of biologically-active material to cells UCL BIOMEDICA PLC (GB) 2009-10-06 US disclosed
US-20050245446-A1 Materials for the delivery of biologically-active material to cells NANOGENICS LIMITED (GB) 2005-11-03 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-20050245446-A1 Materials for the delivery of biologically-active material to cells ITGB1, ITGA2B, ITGB2 ALDH1A1 2384/4885KMT2A 4254/4885SMN1; SMN2 2326/4885

“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.