SCHEMBL6153378

SCHEMBL6153378

COc1ccc(OC)c(C2(C)CC(Nc3cnccn3)C(=O)O2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.37
KDM4E B2RXH2 4/20 0.37
POLB P06746 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SYK P43405 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.35
CHEK1 O14757 1/20 0.34
HSD17B10 Q99714 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADAM17 P78536 1/20 0.33
TSHR P16473 3/20 0.33
TDP2 O95551 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALPL P05186 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL6152589 0.88 ALDH1A1 (0.41) KDM4EMEN1KMT2AALDH1A1NPSR1
SCHEMBL5775032 0.88 KDM4E (0.42) ROCK2KDM4EPOLBMEN1KMT2A
SCHEMBL5778037 0.85 MAPT (0.41) MEN1KMT2AALDH1A1HSD17B10CASP1
SCHEMBL6292491 0.84 HSD17B10 (0.35) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL5773899 0.83 CCR6 (0.43) KDM4EPOLBMEN1KMT2AHSD17B10
SCHEMBL5775592 0.79 KDM4E (0.40) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL5776589 0.78 TP53 (0.41) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL5775789 0.76 HPGD (0.41) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL5772617 0.75 NPC1 (0.35) ROCK2KDM4EMEN1KMT2AALDH1A1
SCHEMBL6152046 0.72 ALDH1A1 (0.44) KDM4EMEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US claimed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP claimed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US claimed
EP-1406610-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003004016-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-01-16 WO claimed
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US disclosed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP disclosed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US disclosed
EP-1406610-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003004016-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-01-16 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-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations BACE1, MYC, APP ROCK2 2574/4885KDM4E 3918/4885POLB 1206/4885

“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.