SCHEMBL6446165

SCHEMBL6446165

CC(C)CC(C=O)OC(=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.41
USP2 O75604 1/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.40
CTSK P43235 1/20 0.39
CTSS P25774 5/20 0.39
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL15818431 0.79 TSHR (0.51) TSHRRECQLSMN1; SMN2USP2CYP2C19
SCHEMBL17212822 0.79 TSHR (0.49) TSHRRECQLSMN1; SMN2USP2CYP2C19
SCHEMBL6449584 0.78 TSHR (0.49) TSHRRECQLSMN1; SMN2USP2CYP2C19
SCHEMBL6446161 0.77 TSHR (0.47) TSHRRECQLSMN1; SMN2USP2CYP2C19
SCHEMBL4044979 0.77 TSHR (0.47) TSHRRECQLSMN1; SMN2USP2CYP2C19
SCHEMBL8350092 0.77 TSHR (0.47) TSHRRECQLSMN1; SMN2USP2CYP2C19
SCHEMBL10624505 0.77 TSHR (0.51) TSHRRECQLSMN1; SMN2USP2CYP2C19
SCHEMBL7279994 0.75 TSHR (0.49) TSHRRECQLSMN1; SMN2USP2CYP2C19
SCHEMBL12206737 0.75 TSHR (0.55) TSHRRECQLSMN1; SMN2USP2CYP2C19
SCHEMBL296555 0.73 TSHR (0.53) TSHRRECQLSMN1; SMN2USP2CYP2C19

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 TSHR 2585/4885RECQL 774/4885SMN1; 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.