SCHEMBL4622585

SCHEMBL4622585

Cc1cc(OC(=O)OC(C)(C)C)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.56
CA2 P00918 1/20 0.47
ESR1 P03372 3/20 0.43
KDM1A O60341 1/20 0.42
NR1H4 Q96RI1 5/20 0.41
ATM Q13315 2/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESRRA P11474 1/20 0.38
ESR2 Q92731 2/20 0.38
ALDH1A1 P00352 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL27686098 0.86 ELANE (0.59) ELANECA2KDM1AATMMAPT
SCHEMBL2540263 0.83 ELANE (0.56) ELANECA2KDM1ATDP1L3MBTL1
SCHEMBL17355754 0.82 ELANE (0.54) ELANECA2KDM1APOLBMAPT
SCHEMBL5907902 0.81 ELANE (0.53) ELANECA2KDM1AMAPTTDP1
SCHEMBL26064706 0.81 ESR1 (0.41) ELANEESR1NR1H4ATMPOLB
SCHEMBL4061539 0.80 ELANE (0.65) ELANECA2KDM1APOLBMAPT
SCHEMBL4061370 0.80 ELANE (0.81) ELANECA2KDM1AMAPTTDP1
SCHEMBL4743520 0.80 ELANE (0.51) ELANECA2KDM1ANR1H4ATM
SCHEMBL19558305 0.79 ELANE (0.56) ELANECA2ESR1
SCHEMBL4641620 0.79 ELANE (0.54) ELANECA2KDM1ANR1H4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384983-B2 Inhibitor of monoamine uptake ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1379492-B1 INHIBITOR OF MONOAMINE UPTAKE LILLY CO ELI (US) 2008-05-21 EP disclosed
US-20050209341-A1 Inhibitor of monoamine uptake MATTIUZ EDWARD L 2005-09-22 US disclosed
US-20040082666-A1 Inhibitor of monoamine uptake MATTIUZ EDWARD LOUIS (US) 2004-04-29 US disclosed
EP-1379492-A1 INHIBITOR OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2002070457-A1 INHIBITOR OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2002-09-12 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 (2 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-20040082666-A1 Inhibitor of monoamine uptake SLC18A2, SLC6A2, SLC18A3 ELANE 4718/4885CA2 2744/4885ESR1 3837/4885
US-20050209341-A1 Inhibitor of monoamine uptake SLC18A2, SLC6A2, SLC18A3 ELANE 4718/4885CA2 2744/4885ESR1 3837/4885

“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.