SCHEMBL6443644

SCHEMBL6443644

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
CTNNB1 P35222 1/20 0.56
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
HRH4 Q9H3N8 1/20 0.44
ACP3 P15309 1/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
CHRNB2 P17787 1/20 0.43

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
SCHEMBL6444646 0.86 CTNNB1 (0.51) TDP1CTNNB1CYP1A2CYP2C19ACP3
SCHEMBL6444672 0.82 CTNNB1 (0.48) TDP1CTNNB1CYP1A2HPGDACP3
SCHEMBL10338654 0.81 CPA1 (0.57) TDP1CTNNB1CYP1A2CYP2C9HPGD
SCHEMBL29478371 0.81 TDP1 (0.57) TDP1CTNNB1CYP1A2CYP2C9HPGD
SCHEMBL29568355 0.81 TDP1 (0.57) TDP1CTNNB1CYP1A2CYP2C9HPGD
SCHEMBL289220 0.81 TDP1 (0.57) TDP1CTNNB1CYP1A2CYP2C9HPGD
SCHEMBL9194477 0.81 CPA1 (0.57) TDP1CTNNB1CYP1A2CYP2C9HPGD
SCHEMBL2027675 0.81 TDP1 (0.57) TDP1CTNNB1CYP1A2CYP2C9HPGD
SCHEMBL1927058 0.81 TDP1 (0.57) TDP1CTNNB1CYP1A2CYP2C9HPGD
SCHEMBL7429100 0.81 CPA1 (0.57) TDP1CTNNB1CYP1A2CYP2C9HPGD

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 5 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

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 TDP1 758/4885CTNNB1 1728/4885CYP1A2 1864/4885

“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.