SCHEMBL3000699

SCHEMBL3000699

CCCC[n+]1ccccc1.CCOS(=O)(=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.52
CHRM2 P08172 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
CHRM1 P11229 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
ABCB11 O95342 1/20 0.52
ESR1 P03372 1/20 0.52
PGR P06401 1/20 0.52
HTR1A P08908 1/20 0.52
DRD1 P21728 1/20 0.52
TBXA2R P21731 1/20 0.52
PTGS1 P23219 1/20 0.52
PDE4A P27815 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRM1 P35372 1/20 0.52
DRD3 P35462 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL1416528 0.89 RECQL (0.51) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL27700906 0.86 ACHE (0.55) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL2761089 0.86 ACHE (0.55) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL28869338 0.86 ACHE (0.55) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL1416644 0.86 RECQL (0.62) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL1416500 0.86 RECQL (0.62) ACHECHRM2ADRA2AADORA3CHRM1
Sulfuric Acid SCHEMBL3005563 0.86 ACHE (0.63) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL1715389 0.84 ACHE (0.61) ACHECHRM2ADRA2AADORA3CHRM1
Sulfuric Acid SCHEMBL21195033 0.84 ACHE (0.61) ACHECHRM2ADRA2AADORA3CHRM1
SCHEMBL3005599 0.84 HTT (0.54) RAD52KMT2ASMN1; SMN2HSP90AA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812382-B1 METHOD FOR PRODUCING POLYISOCYANATES BASF SE (DE) 2013-01-23 EP claimed
US-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESSELLSCHAFT (DE) 2009-04-30 US claimed
EP-1812382-B1 METHOD FOR PRODUCING POLYISOCYANATES BASF SE (DE) 2013-01-23 EP disclosed
US-7897806-B2 Reacting primary amines with phosgene in ionic liquid as solvent BASF AKTIENGESELLSCHAFT (DE) 2011-03-01 US disclosed
US-20100191010-A1 PROCESS FOR THE SYNTHESIS OF CARBAMATES USING CO2 HUNTSMAN INTERNATIONAL LLC (US) 2010-07-29 US disclosed
EP-2173705-A1 PROCESS FOR THE SYNTHESIS OF CARBAMATES USING CO2 Huntsman International LLC (US) 2010-04-14 EP disclosed
US-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESSELLSCHAFT (DE) 2009-04-30 US disclosed
WO-2009013062-A1 PROCESS FOR THE SYNTHESIS OF CARBAMATES USING CO2 HUNTSMAN INTERNATIONAL LLC (US) 2009-01-29 WO disclosed
EP-2011782-A1 Process for the synthesis of carbamates using co2 HUNTSMAN INTERNATIONAL LLC (US) 2009-01-07 EP disclosed
EP-1812382-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2007-08-01 EP disclosed
WO-2006048171-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2006-05-11 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-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES PGLS, INMT, PNMT ACHE 796/4885CHRM2 2669/4885ADRA2A 3286/4885

“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.