SCHEMBL6152439

SCHEMBL6152439

COc1ccc(C2(C)CC(Nc3ncc(C(F)(F)F)cc3Cl)C(=O)O2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 8/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HSP90AA1 P07900 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KLF5 Q13887 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MDM2 Q00987 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 4/20 0.35

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
SCHEMBL5775789 0.93 HPGD (0.41) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL6153187 0.85 MAPT (0.38) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL5773899 0.79 CCR6 (0.43) KDM4EMAPTLMNAGAAMEN1
SCHEMBL6152061 0.77 LMNA (0.41) ALDH1A1KDM4EMAPTLMNAMEN1
SCHEMBL5775592 0.71 KDM4E (0.40) ALDH1A1KDM4EMAPTLMNATP53
SCHEMBL5775647 0.71 CCR6 (0.43) KDM4EMAPTLMNAGAAKMT2A
SCHEMBL5776589 0.69 TP53 (0.41) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL6153378 0.69 ROCK2 (0.37) HPGDALDH1A1KDM4EGAAMEN1
SCHEMBL5774783 0.67 MAPT (0.34) HPGDALDH1A1KDM4EMAPTLMNA
SCHEMBL5775206 0.67 TDP1 (0.36) ALDH1A1MAPTMEN1KMT2AHTT

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 HPGD 476/4885ALDH1A1 4494/4885KDM4E 3918/4885

“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.