SCHEMBL3829696

SCHEMBL3829696

CCCC(C)(C)C(=O)OC(C)Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
ADRA1A P35348 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6894115 0.84 ELANE (0.41) ELANECYP4F2CYP4A11TDP1MEN1
SCHEMBL10087895 0.83 ELANE (0.43) ELANECYP4F2CYP4A11TDP1MEN1
SCHEMBL19018787 0.80 ELANE (0.41) ELANECYP4F2CYP4A11TDP1MEN1
SCHEMBL6892271 0.80 ELANE (0.41) ELANECYP4F2CYP4A11TDP1MEN1
SCHEMBL11446926 0.79
SCHEMBL12514347 0.78 ELANE (0.37) ELANECYP4F2CYP4A11LMNAHSD17B10
SCHEMBL26932887 0.78 MMP8 (0.30)
SCHEMBL13649170 0.77 ELANE (0.39) ELANECYP4F2CYP4A11TDP1LMNA
SCHEMBL26431688 0.76 PRKCA (0.47) ELANECYP4F2CYP4A11TDP1MEN1
SCHEMBL12120737 0.76 CYP4F2 (0.42) ELANECYP4F2CYP4A11TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629383-B2 Double esters DRUG DISCOVERY LABORATORY AS (NO) 2009-12-08 US disclosed
EP-1448508-B1 DOUBLE ESTERS DRUG DISCOVERY LAB AS (NO) 2009-09-23 EP disclosed
CN-100516018-C Double esters PHOTOCURE ASA (NO) 2009-07-22 CN disclosed
US-20050203181-A1 Double esters DRUG DISCOVERY LABORATORY AS (NO) 2005-09-15 US disclosed
CN-1589254-A Double esters PHOTOCURE ASA (NO) 2005-03-02 CN disclosed
EP-1448508-A1 DOUBLE ESTERS Photocure ASA (NO) 2004-08-25 EP disclosed
WO-2003045893-A1 DOUBLE ESTERS PHOTOCURE ASA (NO) 2003-06-05 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-20050203181-A1 Double esters ACACA, CES1, ACACB ELANE 120/4885CYP4F2 185/4885CYP4A11 112/4885

“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.