SCHEMBL4506549

SCHEMBL4506549

COC(=O)c1ccc(C(=O)OC)c(Oc2ccc(F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
MAPT P10636 5/20 0.50
HPGD P15428 5/20 0.50
ALDH1A1 P00352 5/20 0.50
ATM Q13315 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
MET P08581 1/20 0.47
AXL P30530 1/20 0.47
USP2 O75604 1/20 0.47
SLC6A4 P31645 1/20 0.47

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
SCHEMBL29826422 0.87 TDP1 (0.56) KDM4EMAPTHPGDALDH1A1ATM
SCHEMBL5193324 0.87 TDP1 (0.56) KDM4EMAPTHPGDALDH1A1ATM
SCHEMBL4521411 0.85 KDM4E (0.50) KDM4EMAPTHPGDALDH1A1ATM
SCHEMBL490297 0.85 KDM4E (0.58) KDM4EMAPTHPGDALDH1A1ATM
SCHEMBL26563554 0.82 CARM1 (0.50) KDM4EMAPTHPGDALDH1A1ATM
SCHEMBL472707 0.82 KMT2A (0.48) KDM4EMAPTHPGDALDH1A1ATM
SCHEMBL2345577 0.82 HPGD (0.44) KDM4EHPGDALDH1A1KMT2ANPC1
SCHEMBL27850308 0.81 SLC6A3 (0.64) KDM4EHPGDALDH1A1GAAKMT2A
SCHEMBL370483 0.81 USP2 (0.49) KDM4EMAPTHPGDALDH1A1ATM
SCHEMBL15912486 0.81 FFAR4 (0.49) KDM4EHPGDALDH1A1KMT2ANPC1

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-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US disclosed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US disclosed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US disclosed
CN-101119992-A Tricyclic delta opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-02-06 CN disclosed
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP disclosed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 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-20060135524-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 KDM4E 2174/4885MAPT 1156/4885HPGD 860/4885

“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.