SCHEMBL3779739

SCHEMBL3779739

CC(=O)OCc1ccc(OC(=O)C(C)(C)C)c(C(c2ccccc2)(C(C)C)C(CN)C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.31
LMNA P02545 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL6760712 0.93 ELANE (0.35) ELANEALDH1A1
SCHEMBL6762097 0.91 ALOX15 (0.39) ALDH1A1CYP3A4
SCHEMBL6760481 0.78 CYP3A4 (0.36) ELANECYP3A4
SCHEMBL3779737 0.71 ELANE (0.44) ELANEALDH1A1CYP3A4LMNAHIF1A
SCHEMBL15238219 0.69 CHRM2 (0.65) LMNA
SCHEMBL6760704 0.69 CHRM3 (0.30)
SCHEMBL6757095 0.68 KIF11 (0.34) ALDH1A1CYP3A4LMNAHIF1A
SCHEMBL2167092 0.67 CHRM2 (0.64) ELANEALDH1A1LMNA
SCHEMBL13313847 0.65 ESRRG (0.37) ELANEALDH1A1CYP3A4LMNAHIF1A
SCHEMBL6760711 0.64 CHRM2 (0.42) ELANEALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855230-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2010-12-21 US disclosed
US-20090042981-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2009-02-12 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-20090042981-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES ADRB3, TNNI3, ADRB2 ELANE 4204/4885ALDH1A1 1088/4885CYP3A4 171/4885

“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.