SCHEMBL4446579

SCHEMBL4446579

NCCOCCOCCOCCOCCOCCOCCOCCOCCOCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
NAAA Q02083 1/20 0.53
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
LTA4H P09960 2/20 0.46
TAAR1 Q96RJ0 2/20 0.45
LOXL2 Q9Y4K0 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TACR1 P25103 2/20 0.43
HPGD P15428 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL6554989 1.00 TSHR (0.58) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL4454168 1.00 TSHR (0.58) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL12013285 1.00 TSHR (0.58) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL13671100 1.00 TSHR (0.58) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL12020781 1.00 TSHR (0.58) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL25227691 1.00 TSHR (0.58) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL2794 0.96 TSHR (0.64) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL21214934 0.94 TSHR (0.52) TSHRNAAAIDO1AGXTLTA4H
SCHEMBL9761302 0.94 TSHR (0.52) TSHRNAAAIDO1AGXTLTA4H
Hydrochloric Acid SCHEMBL3232897 0.93 TSHR (0.61) TSHRNAAAIDO1AGXTLTA4H

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 4 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-7598421-B2 Materials for the delivery of biologically-active material to cells UCL BIOMEDICA PLC (GB) 2009-10-06 US disclosed
WO-2005117985-A2 LIPOPOLYPLEX CONSTRUCT WITH AN INTEGRIN BINDING PEPTIDE FOR DELIVERY OF NUCLEIC ACIDS, PEPTIDES OR DRUGS UCL BIOMEDICA PLC (GB) 2005-12-15 WO 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 TSHR 616/4885NAAA 4315/4885IDO1 4817/4885

“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.