SCHEMBL4876550

SCHEMBL4876550

CC(C)C(=O)Oc1ccc(O)c(C=O)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.60
ELANE P08246 2/20 0.49
CA2 P00918 1/20 0.45
TYR P14679 2/20 0.44
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL10774506 0.85 ERN1 (0.66) ERN1TYRTRIM24TRIM33
SCHEMBL27882685 0.83 ELANE (0.47) ERN1ELANECA2TYRTRIM24
SCHEMBL28670923 0.78 ELANE (0.53) ELANECA2
SCHEMBL8323656 0.77 ERN1 (0.60) ERN1ELANECA2TYRTRIM24
SCHEMBL6665857 0.77 ERN1 (0.60) ERN1ELANETYRTRIM24TRIM33
SCHEMBL15791718 0.76 ALDH1A1 (0.44) ERN1ELANECA2
SCHEMBL29559365 0.75 ERN1 (1.00) ERN1CA2TYRTRIM24TRIM33
SCHEMBL120412 0.75 ERN1 (1.00) ERN1CA2TYRTRIM24TRIM33
SCHEMBL4879195 0.75 ERN1 (0.49) ERN1ELANECA2TYRTRIM24
SCHEMBL3889158 0.75 ERN1 (0.71) ERN1TYRTRIM24TRIM33

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-20080242644-A1 Factor Viia Inhibitor PHARMACYCLICS, INC. (US) 2008-10-02 US disclosed
EP-1751114-A2 FACTOR VIIA INHIBITOR PHARMACYCLICS, INC. (US) 2007-02-14 EP disclosed
WO-2005121102-A2 FACTOR VIIA INHIBITOR PHARMACYCLICS, INC. (US) 2005-12-22 WO 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-20080242644-A1 Factor Viia Inhibitor F7, F9, F5 ERN1 1540/4885ELANE 264/4885CA2 3556/4885

“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.