SCHEMBL10030663

SCHEMBL10030663

CCCCCCCCCCCCCC(C)C[n+]1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
CHRM1 P11229 2/20 0.53
ACHE P22303 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
ABCB11 O95342 1/20 0.53
ESR1 P03372 1/20 0.53
PGR P06401 1/20 0.53
HTR1A P08908 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
PTGS1 P23219 1/20 0.53
PDE4A P27815 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
Bromide SCHEMBL19032333 0.98 ACHE (0.55) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL28920971 0.93 CHRM2 (0.47) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL4895340 0.83 ACHE (0.62) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5818672 0.83 ACHE (0.62) CHRM2ADRA2AADORA3CHRM1ACHE
Bromide SCHEMBL29204852 0.82 ACHE (0.42) CHRM2ADRA2AADORA3CHRM1ACHE
Iodide SCHEMBL17825559 0.81 CHRM2 (0.66) CHRM2ADRA2AADORA3CHRM1ACHE
Hydrochloric Acid SCHEMBL28434704 0.81 KMT2A (0.63) CHRM2ADRA2AADORA3CHRM1ACHE
Bromide SCHEMBL28757895 0.81 ACHE (0.69) CHRM2ADRA2AADORA3CHRM1ACHE
Hydrochloric Acid SCHEMBL2209795 0.79 KMT2A (0.60) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL26754467 0.79 CHRM2 (0.52) CHRM2ADRA2AADORA3CHRM1ACHE

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-20120083426-A1 METHOD DUPONT NUTRITION BIOSCIENCES APS (DK) 2012-04-05 US disclosed
US-20090098592-A1 METHOD DANISCO A/S (DK) 2009-04-16 US disclosed
EP-1232269-B1 METHOD FOR PURIFYING RECOMBINANT HEXOSE OXIDASE DANISCO (DK) 2009-02-04 EP disclosed
US-7455990-B2 Method of extracting recombinant hexose oxidase DANISCO A/S (DK) 2008-11-25 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 (2 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-20090098592-A1 METHOD GOLIM4, PMAIP1, PPHLN1 CHRM2 4772/4885ADRA2A 4847/4885ADORA3 4825/4885
US-20120083426-A1 METHOD GOLIM4, PMAIP1, PPHLN1 CHRM2 4772/4885ADRA2A 4847/4885ADORA3 4825/4885

“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.