SCHEMBL6447990

SCHEMBL6447990

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 2/20 0.34
CA14 Q9ULX7 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
CA12 O43570 1/20 0.31
KMT2A Q03164 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL2580975 0.76
SCHEMBL8441878 0.76
SCHEMBL6447881 0.75 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2TDP1CA14
SCHEMBL9320742 0.74
SCHEMBL10011167 0.74 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2TDP1CA14
SCHEMBL10012355 0.74 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2TDP1CA14
SCHEMBL5864497 0.72 TSHR (0.50) ALDH1A1TSHRSMN1; SMN2TDP1CA14
SCHEMBL866170 0.72 TSHR (0.50) ALDH1A1TSHRSMN1; SMN2TDP1CA14
SCHEMBL8004094 0.72 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2TDP1CA14
SCHEMBL15945450 0.70 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2TDP1CA14

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 889/4885TSHR 2585/4885SMN1; SMN2 1200/4885

“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.