SCHEMBL13402248

SCHEMBL13402248

COc1cc(S)c(CC(C)C)c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
ACHE P22303 1/20 0.36
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CA9 Q16790 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
AOC3 Q16853 1/20 0.34
ALOX5 P09917 1/20 0.33
MAPK1 P28482 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
SCHEMBL13437324 0.79 PTGS2 (0.50) PTGS2ACHECYP3A4MAPTCA9
SCHEMBL4054939 0.79 CYP3A4 (0.44) CYP3A4MAPTALOX5
SCHEMBL806465 0.78 HTR2A (0.44) PTGS2ACHECYP3A4MAPTCA9
SCHEMBL13402430 0.75 HTR2A (0.41) PTGS2HTR2AHTR2CHTR2B
SCHEMBL13402844 0.75 GAA (0.41) PTGS2ACHECYP3A4MAPTCA9
SCHEMBL28207417 0.72 ACHE (0.48) PTGS2ACHECYP3A4MAPTCA9
SCHEMBL13402310 0.71 MAPK1 (0.41) MAPK1
SCHEMBL5572443 0.71 PTGS2 (0.59) PTGS2ACHECYP3A4MAPTCA9
SCHEMBL28127826 0.69 KDM4E (0.52) PTGS2ACHECYP3A4MAPTCA9
SCHEMBL14113380 0.67 ALDH1A1 (0.42) CA9HTR2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754192-B2 Compositions comprising homogeneously glycosylated erythropoietin SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-06-17 US disclosed
US-20100081786-A1 Homogeneous Erythropoietin and Other Peptides and Proteins, Methods and Intermediates for Their Preparation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-01 US disclosed
US-20100081786-A1 Homogeneous Erythropoietin and Other Peptides and Proteins, Methods and Intermediates for Their Preparation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-01 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-20100081786-A1 Homogeneous Erythropoietin and Other Peptides and Proteins, Methods and Intermediates for Their Preparation EPOR, LIFR, LNPEP PTGS2 2438/4885ACHE 3340/4885CYP3A4 4143/4885

“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.