SCHEMBL801253

SCHEMBL801253

C=C[C@@]1(C)CC(=O)C2[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](OC(=O)CCC(C)C)[C@H](OC(C)=O)[C@@]2(C)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.53
CYP3A4 P08684 4/20 0.53
TSHR P16473 3/20 0.53
NR1I2 O75469 2/20 0.53
ADRA1A P35348 2/20 0.53
CYP2C19 P33261 2/20 0.53
KMT2A Q03164 2/20 0.53
MLNR O43193 1/20 0.53
KCNH2 Q12809 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP2C9 P11712 1/20 0.53
ADCY1 Q08828 13/20 0.49
SLC2A1 P11166 2/20 0.47
GMNN O75496 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP2D6 P10635 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL31499204 0.89 ADCY1 (0.55) MAPK1CYP3A4TSHRNR1I2ADRA1A
SCHEMBL9870844 0.84 ADCY1 (0.60) MAPK1CYP3A4TSHRNR1I2ADRA1A
SCHEMBL18601237 0.84 ADCY1 (0.60) MAPK1CYP3A4TSHRNR1I2ADRA1A
SCHEMBL10020759 0.84 ADCY1 (0.60) MAPK1CYP3A4TSHRNR1I2ADRA1A
SCHEMBL12028527 0.84 ADCY1 (0.60) MAPK1CYP3A4TSHRNR1I2ADRA1A
SCHEMBL6469176 0.84 ADCY1 (0.60) MAPK1CYP3A4TSHRNR1I2ADRA1A
SCHEMBL13639992 0.84 ADCY1 (0.60) MAPK1CYP3A4TSHRNR1I2ADRA1A
SCHEMBL11117898 0.84 ADCY1 (0.60) MAPK1CYP3A4TSHRNR1I2ADRA1A
SCHEMBL21779505 0.84 ADCY1 (0.60) MAPK1CYP3A4TSHRNR1I2ADRA1A
SCHEMBL9589644 0.83 ADCY1 (0.52) MAPK1CYP3A4TSHRNR1I2ADRA1A

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-20120071539-A1 COMPOUNDS AND METHODS FOR MODULATING THE SILENCING OF A POLYNUCLEOTIDE OF INTEREST EMORY UNIVERSITY (US) 2012-03-22 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-20120071539-A1 COMPOUNDS AND METHODS FOR MODULATING THE SILENCING OF A POLYNUCLEOTIDE OF INTEREST SNRPE, NSUN2, SNRPA MAPK1 4108/4885CYP3A4 4884/4885TSHR 3297/4885

“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.