SCHEMBL4513826

SCHEMBL4513826

COC(=O)c1ccc(C(=O)OC)c(Oc2ccccc2C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 7/20 0.50
MAPT P10636 6/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 4/20 0.50
GAA P10253 3/20 0.50
GLA P06280 2/20 0.50
ATM Q13315 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HTT P42858 1/20 0.48
NOTUM Q6P988 1/20 0.48
SLC6A3 Q01959 1/20 0.48
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL4502262 0.87 MAPT (0.57) L3MBTL1ALDH1A1KDM4EMAPTHPGD
SCHEMBL9460548 0.85 KDM4E (0.54) L3MBTL1TDP1ALDH1A1KDM4EMAPT
SCHEMBL4386585 0.84 SLC6A3 (0.56) L3MBTL1TDP1ALDH1A1KDM4EMAPT
SCHEMBL490654 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL4504197 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL490297 0.82 KDM4E (0.58) TDP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL7570354 0.79 KDM4E (0.53) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL1191950 0.78 TDP1 (0.68) L3MBTL1TDP1ALDH1A1MAPTGAA
SCHEMBL4513832 0.78 TSHR (0.47) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL5193324 0.78 TDP1 (0.56) L3MBTL1TDP1ALDH1A1KDM4EMAPT

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-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-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US 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 (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-20060135524-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 L3MBTL1 2619/4885TDP1 3925/4885ALDH1A1 1302/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 L3MBTL1 2619/4885TDP1 3925/4885ALDH1A1 1302/4885

“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.