SCHEMBL6445099

SCHEMBL6445099

[CH2]C(O)Cc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.53
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
ACP3 P15309 1/20 0.47
CYP2D6 P10635 1/20 0.46
ADRB2 P07550 4/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL7394253 0.82 CTNNB1 (0.54) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL12532092 0.80 CTNNB1 (0.53) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL15750884 0.80 CTNNB1 (0.57) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL10355407 0.80 CTNNB1 (0.53) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL1041345 0.80 CTNNB1 (0.53) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL4817621 0.80 CYP1A2 (0.50) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL7402726 0.80 CTNNB1 (0.53) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL5551803 0.77 CYP1A2 (0.47) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL29190507 0.77 CTNNB1 (0.50) CTNNB1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL2480670 0.77 CTNNB1 (0.50) CTNNB1TDP1CYP1A2CYP2C19CYP2C9

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 9 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-0441383-B1 Use of a copolymer for the making of contact lenses MITSUBISHI RAYON CO (JP) 1996-05-08 EP disclosed
US-5183870-A A curable polybutylene glycol di(meth)acrylate, a urethane or epoxy (meth)acrylate and a (meth)acrylate; heat and water resistance; impact strength; dyeability; workability MITSUBISHI RAYON CO., LTD (JP) 1993-02-02 US disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
EP-0441383-A2 Use of a copolymer for the making of contact lenses MITSUBISHI RAYON CO., LTD. (JP) 1991-08-14 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 CTNNB1 1728/4885TDP1 758/4885CYP1A2 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.