SCHEMBL6153035

SCHEMBL6153035

CC1(c2ccc(Br)cc2)CC(Nc2ccc(Br)cn2)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.38
RAB9A P51151 6/20 0.38
NPC1 O15118 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6152057 0.82 MEN1 (0.41) ALDH1A1RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL6152041 0.78 GAA (0.40) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5775027 0.78 ALDH1A1 (0.34) ALDH1A1TSHRLMNA
SCHEMBL5779413 0.78 BRD4 (0.34) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL5778037 0.78 MAPT (0.41) ALDH1A1RAB9ANPC1TSHRMEN1
SCHEMBL6152950 0.77 GRM5 (0.35) MAPK1
SCHEMBL5775142 0.77 HTR6 (0.38) ALDH1A1MAPK1LMNA
SCHEMBL5777607 0.76 HSD11B1 (0.34) ALDH1A1LMNA
SCHEMBL5776702 0.75 ALDH1A1 (0.36) ALDH1A1POLBNPC1SMN1; SMN2MEN1
SCHEMBL6152509 0.73 NPC1 (0.34) RAB9ANPC1MAPK1

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 ALDH1A1 4494/4885POLB 1206/4885RAB9A 3823/4885

“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.