SCHEMBL2082963

SCHEMBL2082963

CC(C)(C)OC(=O)c1cc2ccc(OCc3ccccc3)cc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.59
MAOB P27338 14/20 0.58
MAOA P21397 8/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA3 P07451 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56
MTNR1A P48039 1/20 0.56
KMT2A Q03164 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
ACHE P22303 2/20 0.50
BCHE P06276 1/20 0.50
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL1067965 0.86 MAOA (0.64) SLC16A3MAOBMAOAMEN1NPC1
SCHEMBL744596 0.84 MAOB (0.76) SLC16A3MAOBMAOAMEN1NPC1
SCHEMBL1391034 0.84 SLC16A3 (0.65) SLC16A3MAOBMAOAMEN1NPC1
SCHEMBL5866737 0.83 SLC16A3 (0.72) SLC16A3MAOBMAOAMEN1NPC1
SCHEMBL17347289 0.79 SLC16A3 (0.62) SLC16A3MAOBMAOAMEN1NPC1
SCHEMBL2082378 0.78 FLT3 (0.61) MEN1NPC1CA12CA1CA2
SCHEMBL29926214 0.78 MAPT (0.60) MEN1NPC1KMT2A
SCHEMBL2081885 0.77 HSD11B1 (0.59) SLC16A3CA12CA1CA2CA9
SCHEMBL6984136 0.76 POLB (0.51) MAOBMEN1NPC1KMT2AKDM4E
SCHEMBL93418 0.75 MAOB (0.80) SLC16A3MAOBMAOA

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
EP-1984360-B1 Compounds and methods for modulating FX-receptors LILLY CO ELI (US) 2014-01-15 EP disclosed
US-7863302-B2 Compounds and methods for modulating FX-receptors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2008-12-11 US disclosed
EP-1984360-A2 COMPOUNDS AND METHODS FOR MODULATING FX-RECEPTORS Eli Lilly & Company (US) 2008-10-29 EP disclosed
WO-2007092751-A2 COMPOUNDS AND METHODS FOR MODULATING FX-RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-16 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-20080306125-A1 Compounds and Methods for Modulating Fx-Receptors F2R, TBXA2R, PTAFR SLC16A3 4002/4885MAOB 583/4885MAOA 882/4885

“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.