SCHEMBL4790029

SCHEMBL4790029

CC(C)(C)C(=O)Oc1ccc(C(=O)OCc2ccccc2)c(OC(=O)C(C)(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.63
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PRTN3 P24158 2/20 0.46
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL11325436 0.90 ELANE (0.53) ELANETDP1ALDH1A1CYP3A4TSHR
SCHEMBL11315487 0.85 ELANE (0.61) ELANETDP1ALDH1A1CYP3A4TSHR
SCHEMBL10932821 0.78 LMNA (0.61) ELANETDP1ALDH1A1TSHRL3MBTL1
SCHEMBL4755649 0.78 ELANE (0.79) ELANEALDH1A1MAPK1
SCHEMBL10483738 0.78 ELANE (1.00) ELANEMAPK1
SCHEMBL7897259 0.78 L3MBTL1 (0.52) TDP1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL31336015 0.77 MAOB (0.58) TDP1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL4943007 0.77 MAOB (0.58) TDP1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL3198417 0.77 TDP1 (0.56) TDP1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL10483679 0.76 ELANE (1.00) ELANEMAPK1

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 1482/4885TDP1 1214/4885ALDH1A1 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.