SCHEMBL12191968

SCHEMBL12191968

Oc1cc(O)c2c(c1)CCc1ccccc1C2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 17/20 0.49
DRD2 P14416 16/20 0.49
DRD5 P21918 15/20 0.49
DRD3 P35462 12/20 0.49
DRD4 P21917 9/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CYP2A6 P11509 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
SCHEMBL6903685 0.74 DRD1 (0.76) DRD1DRD2DRD5DRD3DRD4
SCHEMBL6901150 0.74 DRD1 (0.73) DRD1DRD2DRD5DRD3DRD4
SCHEMBL7527997 0.73 DRD2 (0.49) DRD1DRD2DRD5DRD3DRD4
SCHEMBL29034035 0.73 PNMT (0.44) DRD2CA1CA2CA4CA6
SCHEMBL6907788 0.69 DRD2 (0.52) DRD1DRD2DRD5DRD3DRD4
SCHEMBL30346211 0.69 MAOA (0.53) CA1CA2CA4CA6
SCHEMBL5658358 0.69 DRD2 (0.44) DRD1DRD2DRD5DRD3DRD4
SCHEMBL8649269 0.69 MAOA (0.53) CA1CA2CA4CA6
SCHEMBL3675894 0.69 BCL2L1 (0.50)
SCHEMBL31634362 0.69 DRD2 (0.61) DRD1DRD2DRD5DRD3DRD4

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-8029765-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-10-04 US disclosed
US-8029765-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-10-04 US disclosed
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors MASIMO LABORATORIES, INC. (US) 2009-01-01 US disclosed
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors MASIMO LABORATORIES, INC. (US) 2009-01-01 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 (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-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors GCKR, SYMPK, SUCNR1 DRD1 2879/4885DRD2 2992/4885DRD5 3166/4885

“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.