SCHEMBL4876547

SCHEMBL4876547

CC(C)(C(=O)O)c1ccc(O)c(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 12/20 0.46
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CDK1 P06493 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL6688756 0.82 CNR1 (0.54) ERN1MAPTSMN1; SMN2CDK1
SCHEMBL332380 0.82 MAPT (0.62) ERN1MAPTSMN1; SMN2CDK1
SCHEMBL209836 0.82 ESR1 (0.55) ERN1MAPTSMN1; SMN2CDK1
SCHEMBL11417093 0.80 MAPT (0.61) ERN1MAPTSMN1; SMN2CDK1
SCHEMBL16130218 0.80 ERN1 (0.50) ERN1MAPTSMN1; SMN2CDK1
SCHEMBL17079652 0.80 ALDH1A1 (0.59) MAPTSMN1; SMN2APP
SCHEMBL30319438 0.80 ALDH1A1 (0.59) MAPTSMN1; SMN2APP
SCHEMBL14849044 0.79 ERN1 (0.49) ERN1MAPTSMN1; SMN2CDK1
SCHEMBL16189491 0.78 ESR1 (0.61) APP
SCHEMBL9291079 0.78 ESR1 (0.52) ERN1MAPTSMN1; SMN2

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 1540/4885MAPT 4562/4885SMN1; SMN2 4391/4885

“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.