SCHEMBL6447404

SCHEMBL6447404

CCOC(=O)CC(C=O)Oc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
CDC25B P30305 1/20 0.42
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR9 Q9NR96 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
SCHEMBL6446149 0.85 CASP1 (0.47) ALDH1A1HPGDKDM4ETDP1L3MBTL1
SCHEMBL6443698 0.84 ALDH1A1 (0.45) TSHRALDH1A1HPGDKDM4ETDP1
SCHEMBL6451825 0.82 TSHR (0.46) BTN3A1TSHRALDH1A1HPGDCDC25B
SCHEMBL6447400 0.80 TSHR (0.44) BTN3A1TSHRALDH1A1HPGDCDC25B
SCHEMBL10390030 0.76 TSHR (0.51) TSHRALDH1A1HPGDCDC25BKDM4E
SCHEMBL28746858 0.75 ALDH1A1 (0.47) BTN3A1TSHRALDH1A1HPGDCDC25B
SCHEMBL27493266 0.75 ALDH1A1 (0.53) BTN3A1TSHRALDH1A1HPGDCDC25B
SCHEMBL6445561 0.75 KDM4E (0.50) ALDH1A1HPGDKDM4ETDP1SLC6A2
SCHEMBL7313415 0.74 KMT2A (0.45) ALDH1A1HPGDCDC25BKDM4ETDP1
SCHEMBL9439381 0.74 TSHR (0.49) BTN3A1TSHRALDH1A1HPGDCDC25B

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 12 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-0594540-B1 Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1998-04-01 EP disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 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 BTN3A1 1756/4885TSHR 2585/4885ALDH1A1 889/4885

“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.