SCHEMBL6447676

SCHEMBL6447676

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.48
CTNNB1 P35222 1/20 0.48
HRH4 Q9H3N8 1/20 0.46
CASP1 P29466 3/20 0.45
TDP1 Q9NUW8 1/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
FFAR1 O14842 1/20 0.41
AKR1B1 P15121 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTR2A P28223 4/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 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
SCHEMBL9667000 0.87 TACR1 (0.47) TACR1CTNNB1HRH4CASP1TDP1
SCHEMBL7293932 0.87 TACR1 (0.47) TACR1CTNNB1HRH4CASP1TDP1
SCHEMBL9325722 0.87 CASP1 (0.53) TACR1CTNNB1HRH4CASP1TDP1
SCHEMBL10389724 0.87 CASP1 (0.53) TACR1CTNNB1HRH4CASP1TDP1
SCHEMBL7294890 0.87 CASP1 (0.53) TACR1CTNNB1HRH4CASP1TDP1
SCHEMBL7293938 0.85 TACR1 (0.47) TACR1CTNNB1HRH4CASP1TDP1
SCHEMBL9667005 0.85 TACR1 (0.47) TACR1CTNNB1HRH4CASP1TDP1
SCHEMBL24115492 0.82 CTNNB1 (0.51) TACR1CTNNB1HRH4CASP1TDP1
SCHEMBL6444456 0.82 CTNNB1 (0.56) CTNNB1HRH4TDP1SLC1A3SLC1A2
SCHEMBL6473973 0.81 SLC1A3 (0.51) TACR1CTNNB1HRH4CASP1TDP1

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 TACR1 551/4885CTNNB1 1728/4885HRH4 244/4885

“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.