SCHEMBL6447173

SCHEMBL6447173

[CH2]C(CCC(=O)OC(C)(C)C)Oc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC6A4 P31645 7/20 0.39
SLC6A2 P23975 5/20 0.39
PGR P06401 1/20 0.39
GAA P10253 1/20 0.39
PTGS1 P23219 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL10389722 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL6446932 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL6446931 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL6443268 0.81 KDM4E (0.53) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL6443562 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL7277563 0.76 CNR2 (0.54) ALDH1A1KDM4EHSD17B10HPGDTDP1
SCHEMBL8536438 0.75 SLC6A4 (0.48) KDM4ESLC6A4SLC6A2MEN1CYP1A2
SCHEMBL7307013 0.74 ADRB2 (0.44) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL7277556 0.74 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL5161970 0.74 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1

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 ALDH1A1 889/4885KDM4E 3396/4885HSD17B10 417/4885

“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.