SCHEMBL2232267

SCHEMBL2232267

CC1(C)CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](O)[C@H](O)[C@@]2(C)O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY1 Q08828 16/20 0.56
MAPK1 P28482 4/20 0.56
CYP3A4 P08684 3/20 0.56
TSHR P16473 2/20 0.56
SLC2A1 P11166 2/20 0.56
GMNN O75496 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP2D6 P10635 1/20 0.56
NFKB1 P19838 1/20 0.56
HIF1A Q16665 1/20 0.56
NR1I2 O75469 1/20 0.56
CHRM2 P08172 1/20 0.56
ABCB1 P08183 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
HTR2A P28223 1/20 0.56
ADRA1A P35348 1/20 0.56
SCN1A P35498 1/20 0.56

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
SCHEMBL10686686 0.86 ADCY1 (0.76) ADCY1MAPK1CYP3A4TSHRSLC2A1
SCHEMBL21115859 0.86 ADCY1 (0.76) ADCY1MAPK1CYP3A4TSHRSLC2A1
SCHEMBL3130497 0.84 ADCY1 (0.77) ADCY1MAPK1CYP3A4TSHRSLC2A1
SCHEMBL30107913 0.84 ADCY1 (0.77) ADCY1MAPK1CYP3A4TSHRSLC2A1
SCHEMBL10921843 0.84 ADCY1 (0.77) ADCY1MAPK1CYP3A4TSHRSLC2A1
SCHEMBL10920909 0.84 ADCY1 (0.77) ADCY1MAPK1CYP3A4TSHRSLC2A1
SCHEMBL11538367 0.84 ADCY1 (0.77) ADCY1MAPK1CYP3A4TSHRSLC2A1
SCHEMBL9737363 0.79 ADCY1 (0.68) ADCY1MAPK1CYP3A4TSHRSLC2A1
SCHEMBL10495012 0.79 ADCY1 (0.68) ADCY1MAPK1CYP3A4TSHRSLC2A1
SCHEMBL9591704 0.77 ADCY1 (0.53) ADCY1MAPK1CYP3A4TSHRSLC2A1

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
EP-0116713-A1 Novel labdane derivatives, process for the preparation thereof, and pharmaceutical compositions containing labdane derivatives SCHERING CORPORATION (US) 1984-08-29 EP claimed
US-20140128399-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP DUKE UNIVERSITY (US) 2014-05-08 US disclosed
US-20110171195-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP DUKE UNIVERSITY (US) 2011-07-14 US disclosed
US-4782082-A BRONCHODILATORS, ANTIHISTAMINES SCHERING CORPORATION (US) 1988-11-01 US disclosed
US-4517200-A Method for treating allergic reactions with forskolin SCHERING-PLOUGH CORPORATION (US) 1985-05-14 US disclosed
EP-0116713-A1 Novel labdane derivatives, process for the preparation thereof, and pharmaceutical compositions containing labdane derivatives SCHERING CORPORATION (US) 1984-08-29 EP 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-20110171195-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP PDE7A, PDE8A, PDE8B ADCY1 37/4885MAPK1 2510/4885CYP3A4 1974/4885
US-20140128399-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP PDE7A, PDE8A, PDE8B ADCY1 37/4885MAPK1 2510/4885CYP3A4 1974/4885

“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.