SCHEMBL1044197

SCHEMBL1044197

CCNCC1COc2cc[c]cc2O1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
ESR2 Q92731 1/20 0.55
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
ADRA1D P25100 9/20 0.43
ADRA1A P35348 9/20 0.43
ADRA1B P35368 9/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MTNR1A P48039 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 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
SCHEMBL1043449 0.89 POLB (0.71) POLBESR2ALDH1A1HPGDADRA1D
SCHEMBL1043806 0.87 POLB (0.60) POLBESR2ALDH1A1HPGDADRA1D
SCHEMBL1078455 0.85 HTR6 (0.48) POLBESR2ALDH1A1HPGDADRA1D
SCHEMBL1874665 0.83 POLB (0.52) POLBESR2ALDH1A1HPGDADRA1D
SCHEMBL1874772 0.83 ADRA1D (0.53) POLBESR2ALDH1A1ADRA1DADRA1A
SCHEMBL1043743 0.82 POLB (0.45) POLBESR2ALDH1A1HPGDADRA1D
SCHEMBL18358970 0.80 POLB (0.75) POLBESR2ALDH1A1HPGDADRA1D
SCHEMBL8367125 0.80 POLB (0.75) POLBESR2ALDH1A1HPGDADRA1D
SCHEMBL28708495 0.77 HTT (0.39) POLBESR2ALDH1A1HPGDADRA1A
SCHEMBL1450868 0.77 HTT (0.39) POLBESR2ALDH1A1HPGDADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US claimed
EP-2271635-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP claimed
WO-2009133109-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 WO claimed
US-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
EP-2271635-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133109-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 POLB 4159/4885ESR2 3143/4885ALDH1A1 1056/4885

“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.