SCHEMBL6444784

SCHEMBL6444784

[CH2]C(CC(=O)OCc1ccccc1)Cc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.49
CTNNB1 P35222 1/20 0.47
TACR1 P25103 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
SLC15A1 P46059 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
CYP1A2 P05177 1/20 0.42
CDC25B P30305 1/20 0.41
FFAR1 O14842 1/20 0.41
AKR1B1 P15121 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL10390101 0.85 SLC15A1 (0.55) CASP1CTNNB1TACR1L3MBTL1ALDH1A1
SCHEMBL10390102 0.85 SLC15A1 (0.55) CASP1CTNNB1TACR1L3MBTL1ALDH1A1
SCHEMBL10390100 0.85 SLC15A1 (0.55) CASP1CTNNB1TACR1L3MBTL1ALDH1A1
SCHEMBL7293511 0.82 CASP1 (0.47) CASP1CTNNB1TACR1L3MBTL1ALDH1A1
SCHEMBL6445520 0.82 CASP1 (0.47) CASP1CTNNB1TACR1L3MBTL1ALDH1A1
SCHEMBL6443644 0.81 TDP1 (0.57) CTNNB1TDP1HRH4SLC1A3SLC1A2
SCHEMBL3044895 0.79 CASP1 (0.62) CASP1L3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL24115492 0.79 CTNNB1 (0.51) CASP1CTNNB1TACR1ALDH1A1TDP1
SCHEMBL6447676 0.78 TACR1 (0.48) CASP1CTNNB1TACR1TDP1HRH4
SCHEMBL7294890 0.78 CASP1 (0.53) CASP1CTNNB1TACR1TDP1HRH4

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 936/4885CTNNB1 1728/4885TACR1 551/4885

“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.