SCHEMBL13637245

SCHEMBL13637245

CC(C)(C)c1cc(OP)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(OP)c1O2

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33

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
SCHEMBL14141463 0.88
SCHEMBL13955178 0.85 GABBR2 (0.34) GABBR2GABBR1
SCHEMBL13955111 0.83
SCHEMBL14612293 0.77 GABBR2 (0.39) GABBR2GABBR1
SCHEMBL811190 0.77 POLB (0.39) GABBR2GABBR1
SCHEMBL13955124 0.75 GABBR2 (0.32) GABBR2GABBR1
SCHEMBL547487 0.74 ALDH1A1 (0.39) GABBR2GABBR1
SCHEMBL708899 0.74 GABBR2 (0.36) GABBR2GABBR1
SCHEMBL21327677 0.74 POLB (0.36) GABBR2GABBR1
SCHEMBL31462832 0.74 POLB (0.36) GABBR2GABBR1

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-7615645-B2 Method for the continuous production of aldehydes BASF AKTIENGESELLSCHAFT (DE) 2009-11-10 US disclosed
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-7173138-B2 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2007-02-06 US disclosed
US-20070004939-A1 Method for the continuous production of aldehydes VOLLAND MARTIN 2007-01-04 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-20070004939-A1 Method for the continuous production of aldehydes HRH4, HRH2, HRH3 GABBR2 799/4885GABBR1 905/4885
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof CYP51A1, MSMO1, HSD17B7 GABBR2 2412/4885GABBR1 2192/4885

“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.