SCHEMBL6447325

SCHEMBL6447325

[CH2]C(CC(=O)OCc1ccccc1)Oc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.48
MRGPRX4 Q96LA9 1/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SLC15A1 P46059 2/20 0.41
PSMB5 P28074 1/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9667031 0.85 CASP1 (0.48) CASP1MRGPRX4ALDH1A1MAPK1L3MBTL1
SCHEMBL6451825 0.84 TSHR (0.46) ALDH1A1MAPK1L3MBTL1KDM4EHPGD
SCHEMBL6446149 0.82 CASP1 (0.47) CASP1MRGPRX4ALDH1A1MAPK1L3MBTL1
SCHEMBL6446143 0.82 CASP1 (0.47) CASP1MRGPRX4ALDH1A1MAPK1L3MBTL1
SCHEMBL6451583 0.79 PPARG (0.51) CASP1MRGPRX4ALDH1A1MAPK1L3MBTL1
SCHEMBL6708065 0.79 CYP1A2 (0.51) CASP1MRGPRX4ALDH1A1MAPK1L3MBTL1
SCHEMBL6445181 0.78 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1KDM4EHPGD
SCHEMBL6708190 0.78 MRGPRX4 (0.46) CASP1MRGPRX4ALDH1A1MAPK1L3MBTL1
SCHEMBL6444784 0.77 CASP1 (0.49) CASP1ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL3051266 0.77 ALDH1A1 (0.65) CASP1MRGPRX4ALDH1A1MAPK1L3MBTL1

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-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 CASP1 936/4885MRGPRX4 1458/4885ALDH1A1 889/4885

“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.