SCHEMBL21115859

SCHEMBL21115859

CC(=O)O[C@H]1[C@@H](O)C2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)CC(C)(C)O[C@]12C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY1 Q08828 14/20 0.76
MAPK1 P28482 5/20 0.76
CYP3A4 P08684 4/20 0.76
TSHR P16473 3/20 0.76
SLC2A1 P11166 2/20 0.76
NR1I2 O75469 2/20 0.76
ADRA1A P35348 2/20 0.76
KMT2A Q03164 2/20 0.76
CYP2C19 P33261 2/20 0.76
GMNN O75496 1/20 0.76
BLM P54132 1/20 0.76
PMP22 Q01453 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
CYP2D6 P10635 1/20 0.76
NFKB1 P19838 1/20 0.76
HIF1A Q16665 1/20 0.76
CHRM2 P08172 1/20 0.76
ABCB1 P08183 1/20 0.76
HTR1A P08908 1/20 0.76
ADRA2A P08913 1/20 0.76

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 1.00 ADCY1 (0.76) ADCY1MAPK1CYP3A4TSHRSLC2A1
SCHEMBL10688101 0.87 ADCY1 (0.71) ADCY1MAPK1CYP3A4TSHRSLC2A1
Colforsin SCHEMBL1517319 0.86 ADCY1 (1.00) ADCY1MAPK1CYP3A4TSHRSLC2A1
Colforsin SCHEMBL21530309 0.86 ADCY1 (1.00) ADCY1MAPK1CYP3A4TSHRSLC2A1
Colforsin SCHEMBL4928 0.86 ADCY1 (1.00) ADCY1MAPK1CYP3A4TSHRSLC2A1
Colforsin SCHEMBL23750589 0.86 ADCY1 (1.00) ADCY1MAPK1CYP3A4TSHRSLC2A1
Colforsin SCHEMBL16342714 0.86 ADCY1 (1.00) ADCY1MAPK1CYP3A4TSHRSLC2A1
Colforsin SCHEMBL4917705 0.86 ADCY1 (1.00) ADCY1MAPK1CYP3A4TSHRSLC2A1
Colforsin SCHEMBL14614874 0.86 ADCY1 (1.00) ADCY1MAPK1CYP3A4TSHRSLC2A1
Colforsin SCHEMBL10409866 0.86 ADCY1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194706-A1 Biosynthesis of Oxidised 13R-MO and Related Compounds UNIVERSITY OF COPENHAGEN (DK) 2019-06-27 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-20190194706-A1 Biosynthesis of Oxidised 13R-MO and Related Compounds CYP11B1, CYP2A13, CYP4Z1 ADCY1 199/4885MAPK1 2732/4885CYP3A4 56/4885

“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.