SCHEMBL6879356

SCHEMBL6879356

C=C(C)C(=O)OCCC.[S]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.67
THRB P10828 1/20 0.63
ALDH1A1 P00352 8/20 0.44
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.36
ESR1 P03372 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
KDR P35968 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.34
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 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
SCHEMBL21772349 0.98 TSHR (0.69) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL16573 0.98
SCHEMBL31029924 0.95 TSHR (0.67) TSHRTHRBALDH1A1TDP1POLB
Hydrochloric Acid SCHEMBL31358617 0.95 TSHR (0.67) TSHRTHRBALDH1A1TDP1POLB
Hydrochloric Acid SCHEMBL28868459 0.95 TSHR (0.67) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL1514196 0.95 TSHR (0.67) TSHRTHRBALDH1A1TDP1POLB
Hydrochloric Acid SCHEMBL8572537 0.95 TSHR (0.67) TSHRTHRBALDH1A1TDP1POLB
Hydrogen Sulfide SCHEMBL6879353 0.95 TSHR (0.67) TSHRTHRBALDH1A1TDP1POLB
Potassium SCHEMBL30357416 0.95 TSHR (0.67) TSHRTHRBALDH1A1TDP1POLB
Lithium SCHEMBL30566726 0.95 TSHR (0.67) TSHRTHRBALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1141124-B1 ANIONIC-CATIONIC POLYION COMPLEXES COMPRISING ZWITTERIONIC MONOMER COMPONENT BIOCOMPATIBLES UK LTD (GB) 2004-02-04 EP disclosed
US-20030152547-A1 Anionic-cationic polyion complexes comprising zwitterionic monomer component BIOCOMPATIBLES LIMITED 2003-08-14 US disclosed
US-6524569-B1 Mixing aqueous solutions of overall cationic polymers and overall anionic polymers, at least one of which has pendant zwitterionic groups, to form water swollen gel of polyion complex having improved biocompatibility BIOCOMPATIBLES UK LIMITED (GB) 2003-02-25 US disclosed
EP-1141124-A1 ANIONIC-CATIONIC POLYION COMPLEXES COMPRISING ZWITTERIONIC MONOMER COMPONENT BIOCOMPATIBLES LTD. (GB) 2001-10-10 EP disclosed
WO-2000029481-A1 ANIONIC-CATIONIC POLYION COMPLEXES COMPRISING ZWITTERIONIC MONOMER COMPONENT BIOCOMPATIBLES LIMITED (GB) 2000-05-25 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-20030152547-A1 Anionic-cationic polyion complexes comprising zwitterionic monomer component PICALM, CLTA, PUF60 TSHR 3889/4885THRB 4467/4885ALDH1A1 4685/4885

“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.