SCHEMBL6444915

SCHEMBL6444915

CC(C)C(NC(=O)OCCN1CCOCC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.43
ACACB O00763 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 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
SCHEMBL6444920 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDATMACACB
SCHEMBL6446180 0.99 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDATMACACB
SCHEMBL6446187 0.99 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDATMACACB
SCHEMBL6448199 0.89 TDP1 (0.45) ALDH1A1KDM4EHPGDATMACACB
SCHEMBL6448194 0.89 TDP1 (0.45) ALDH1A1KDM4EHPGDATMACACB
Lithium Ion SCHEMBL6446186 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDATMACACB
SCHEMBL7270231 0.86 ITGB3 (0.40) ALDH1A1KDM4EATMACACBKMT2A
SCHEMBL7270239 0.86 ITGB3 (0.40) ALDH1A1KDM4EATMACACBKMT2A
SCHEMBL25669794 0.84 HRH3 (0.50) ALDH1A1KDM4EHPGDATMACACB
SCHEMBL6442995 0.80 SMN1; SMN2 (0.54) ALDH1A1ATMTSHRGLAKMT2A

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 3396/4885HPGD 554/4885

“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.