SCHEMBL6447072

SCHEMBL6447072

O=CC(CC(=O)c1occ2ccccc12)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.37
MIF P14174 1/20 0.35
CYP1A2 P05177 1/20 0.34
CPA1 P15085 2/20 0.34
CPB1 P15086 1/20 0.34
CPA3 P15088 1/20 0.34
CPB2 Q96IY4 1/20 0.34
ACP3 P15309 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MME P08473 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
ACE P12821 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALPI P09923 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
XIAP P98170 1/20 0.33
SLC7A5 Q01650 1/20 0.33

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
SCHEMBL6450880 0.84 MIF (0.37) CAPN1MIFCYP1A2CPA1CPB1
SCHEMBL7320860 0.82 CPA1 (0.53) CYP1A2CPA1CPB1CPA3CPB2
SCHEMBL10389827 0.82 CPA1 (0.53) CYP1A2CPA1CPB1CPA3CPB2
SCHEMBL24157492 0.74 TSHR (0.50) CAPN1CYP1A2CPA1CPB1CPA3
SCHEMBL7325384 0.74 TSHR (0.50) CAPN1CYP1A2CPA1CPB1CPA3
SCHEMBL1915970 0.72 CPA3 (0.56) MIFCYP1A2CPA1CPB1CPA3
SCHEMBL10389853 0.71 NPC1 (0.53) CYP1A2DAGLA
SCHEMBL11217485 0.70 NR4A2 (0.47) CYP1A2MEN1KMT2AHSD17B10
SCHEMBL9667079 0.70 PTPN1 (0.51) CYP1A2MEN1KMT2AHSD17B10
SCHEMBL27272020 0.70 KMT2A (0.38) CYP1A2MEN1KMT2ANPSR1HSD17B10

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 13 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
CN-1054598-C Pharmacologically active hydrazine derivatives and processes for preparation thereof NORVATIS CO (CH) 2000-07-19 CN disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
CN-1068333-A Has hydrazine analog derivative of pharmacologically active and preparation method thereof CIBA GEIGY AG (CH) 1993-01-27 CN disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 EP disclosed
EP-0374097-A2 Use of peptide isosteres as retroviral protease inhibitors CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
EP-0374098-A2 Inhibitors of retroviral proteases CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 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 CAPN1 190/4885MIF 3796/4885CYP1A2 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.