SCHEMBL6370539

SCHEMBL6370539

COC(=O)[C@@H]1CC(=O)C[C@H](C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.37
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
TP53 P04637 1/20 0.33
F2 P00734 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 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
SCHEMBL2670790 0.88 BRD4 (0.50) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1650294 0.88 BRD4 (0.50) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL872959 0.83
SCHEMBL1650296 0.81 BRD4 (0.44) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16333538 0.80 ALDH1A1 (0.41) ALDH1A1KMT2A
SCHEMBL17921259 0.78 TLR4 (0.30)
SCHEMBL11939930 0.77
SCHEMBL12688391 0.77
SCHEMBL12332449 0.77
SCHEMBL31072091 0.77 BRD4 (0.41) BRD4CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 BRD4 1323/4885CHRNB2 4479/4885CHRNA4 3893/4885

“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.