SCHEMBL4755649

SCHEMBL4755649

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

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.79
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL10483679 0.88 ELANE (1.00) ELANEKDM4EMAPTMAPK1CA2
SCHEMBL22279608 0.87 ELANE (0.60) ELANEKDM4EALDH1A1USP2HPGD
SCHEMBL11334017 0.87 ELANE (0.64) ELANEKDM4EALDH1A1CA2
SCHEMBL10483738 0.83 ELANE (1.00) ELANEMAPTMAPK1
SCHEMBL10483733 0.83 ELANE (1.00) ELANEMAPTMAPK1
SCHEMBL5306075 0.82 ALDH1A1 (0.63) ELANEKDM4EALDH1A1USP2HPGD
SCHEMBL7780229 0.82 ELANE (0.58) ELANEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL19718952 0.79 ELANE (0.68) ELANECA2
SCHEMBL4790029 0.78 ELANE (0.63) ELANEALDH1A1MAPK1
SCHEMBL1914540 0.77 ELANE (0.77) ELANEKDM4EALDH1A1USP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA ELANE 1482/4885KDM4E 2460/4885ALDH1A1 3968/4885

“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.