SCHEMBL7803536

SCHEMBL7803536

C=C(C)C(=O)C(COP(=O)([O-])OCC[N+](C)(C)C)OCC=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
ADRA1D P25100 1/20 0.43
PTAFR P25105 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
MAPT P10636 3/20 0.41
MAPK1 P28482 5/20 0.40
MEN1 O00255 3/20 0.40
GMNN O75496 3/20 0.40
LMNA P02545 3/20 0.40
BLM P54132 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40

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
SCHEMBL7950629 0.74 MEN1 (0.31) SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL1225864 0.74 SMN1; SMN2 (0.53) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL18894366 0.73 LMNA (0.57) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL726329 0.73 SMN1; SMN2 (0.48) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL6437449 0.71 SMN1; SMN2 (0.55) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL428693 0.71 SMN1; SMN2 (0.52) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL1260662 0.70 ADRA1D (0.57) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL28965396 0.69 SMN1; SMN2 (0.73) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL25578845 0.69 SMN1; SMN2 (0.60) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL20401677 0.69 SMN1; SMN2 (0.49) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C

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-20010026927-A1 Measuring method and measuring reagent of C-reactive protein KYOWA MEDEX CO., LTD. (JP) 2001-10-04 US disclosed
EP-1130396-A1 Measuring method and measuring reagent of C-reactive protein KYOWA MEDEX CO., LTD. (JP) 2001-09-05 EP 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-20010026927-A1 Measuring method and measuring reagent of C-reactive protein PON1, ARG1, PHOSPHO1 SMN1; SMN2 3886/4885ADRA1D 1591/4885PTAFR 233/4885

“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.