SCHEMBL6860243

SCHEMBL6860243

COC(C)(C)O[C@@H]1C(=O)N(C(=O)OCc2ccccc2)[C@@H]1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.47
PDE1C Q14123 1/20 0.42
HTR2C P28335 1/20 0.39
HTT P42858 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6860240 1.00 ELANE (0.47) ELANEPDE1CHTR2CHTTPDK1
SCHEMBL3076591 0.83 ELANE (0.51) ELANE
SCHEMBL6409371 0.83 ELANE (0.51) ELANE
SCHEMBL3076587 0.83 ELANE (0.51) ELANE
SCHEMBL7020603 0.81 ELANE (0.38) ELANEPDE1CHTR2CHTTNPC1
SCHEMBL7020601 0.81 ELANE (0.38) ELANEPDE1CHTR2CHTTNPC1
SCHEMBL30904956 0.81 ELANE (0.43) ELANEPDE1CHTR2C
SCHEMBL3079101 0.80 ELANE (0.52) ELANESMN1; SMN2ALDH1A1
SCHEMBL3079099 0.80 ELANE (0.52) ELANESMN1; SMN2ALDH1A1
SCHEMBL5516075 0.80 ELANE (0.52) ELANESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794523-B2 ANTICANCER AGENTS, ANTITUMOR AGENTS; LEUKEMIA FLORIDA STATE UNIVERSITY 2004-09-21 US disclosed
US-20030065200-A1 Anticancer agents, antitumor agents; leukemia FLORIDA STATE UNIVERSITY 2003-04-03 US disclosed
US-6018073-A Tricyclic taxanes having an alkoxy, alkenoxy or aryloxy substituted side-chain and pharmaceutical compositions containing them FLORIDA STATE UNIVERSITY (US) 2000-01-25 US disclosed
US-5739362-A ANTILEUKEMIA, ANTITUMOR AGENTS FLORIDA STATE UNIVERSITY (US) 1998-04-14 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-20030065200-A1 Anticancer agents, antitumor agents; leukemia MCL1, BCL3, TOP2A ELANE 671/4885PDE1C 4812/4885HTR2C 4446/4885

“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.