SCHEMBL17525822

SCHEMBL17525822

CCC(C)(C)C(=O)O[C@@H]1COC2C1OC[C@@H]2OC(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 13/20 0.42
KLK7 P49862 6/20 0.35
KLK5 Q9Y337 3/20 0.35

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
SCHEMBL17518574 0.89 BCHE (0.40) BCHEKLK7KLK5
SCHEMBL17998610 0.84 BCHE (0.45) BCHEKLK7
SCHEMBL13893106 0.83 BCHE (0.40) BCHEKLK7KLK5
SCHEMBL16681714 0.83 BCHE (0.47) BCHEKLK7KLK5
SCHEMBL2321104 0.83 BCHE (0.47) BCHEKLK7KLK5
SCHEMBL12628473 0.82 BCHE (0.44) BCHE
SCHEMBL17518708 0.82 BCHE (0.48) BCHE
SCHEMBL18089793 0.81 BCHE (0.43) BCHEKLK7
SCHEMBL18560312 0.81 BCHE (0.43) BCHEKLK7
SCHEMBL13829070 0.80 BCHE (0.38) BCHE

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-20160046792-A1 FLAME RETARDANTS FROM RENEWABLE RESOURCES CENTRAL MICHIGAN UNIVERSITY 2016-02-18 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-20160046792-A1 FLAME RETARDANTS FROM RENEWABLE RESOURCES FABP4, FBL, PFKFB3 BCHE 3138/4885KLK7 3790/4885KLK5 3063/4885

“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.