SCHEMBL6443625

SCHEMBL6443625

COCCOCCOC(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38
CAPN1 P07384 4/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SDCBP O00560 1/20 0.36
SDC2 P34741 1/20 0.36
ECE1 P42892 2/20 0.36
MME P08473 1/20 0.36
PLA2G2A P14555 1/20 0.36
PLA2G5 P39877 1/20 0.36
FPR2 P25090 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL6443853 1.00 TYR (0.41) TYRNPSR1CAPN1MAPTHSD17B10
SCHEMBL3687552 0.95 TYR (0.44) TYRNPSR1HSD17B10PPARGPPARA
SCHEMBL903604 0.95 TYR (0.44) TYRNPSR1HSD17B10PPARGPPARA
SCHEMBL11354523 0.83 CAPN1 (0.39) TYRCAPN1SMN1; SMN2ECE1MME
SCHEMBL6443665 0.80 SMN1; SMN2 (0.47) TYRNPSR1MAPTHSD17B10PPARG
SCHEMBL6443671 0.80 SMN1; SMN2 (0.47) TYRNPSR1MAPTHSD17B10PPARG
SCHEMBL3843124 0.79 ALDH1A1 (0.50) TYRCAPN1MAPTMMEALDH1A1
SCHEMBL21458084 0.79 ALDH1A1 (0.50) TYRCAPN1MAPTMMEALDH1A1
SCHEMBL21457984 0.79 ALDH1A1 (0.50) TYRCAPN1MAPTMMEALDH1A1
SCHEMBL3838151 0.79 ALDH1A1 (0.50) TYRCAPN1MAPTMMEALDH1A1

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-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 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 TYR 1517/4885NPSR1 542/4885CAPN1 190/4885

“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.