SCHEMBL3557326

SCHEMBL3557326

CC1(C)OC(=O)C(C(=O)c2ccccc2Cl)C(=O)O1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.48
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 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
SCHEMBL3573417 0.83 BACE1 (0.49) BACE1ALDH1A1POLBHPGD
SCHEMBL7993318 0.81 BACE1 (0.51) BACE1CES2CES1ALDH1A1POLB
SCHEMBL6546743 0.79 BACE1 (0.46) BACE1ALDH1A1POLBKDM4EGAA
SCHEMBL8323836 0.77 BACE1 (0.65) BACE1ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL18618230 0.77 ALDH1A1 (0.45) BACE1ALDH1A1KDM4ETSHR
SCHEMBL31388681 0.76 LMNA (0.43) BACE1ALDH1A1GAACYP2C19
SCHEMBL13516362 0.74 BACE1 (0.47) BACE1
SCHEMBL3562787 0.73 BACE1 (0.46) BACE1ALDH1A1
SCHEMBL13516354 0.72 FLT1 (0.42) BACE1ALDH1A1GAAHPGDCYP1A2
SCHEMBL9370645 0.71 MAPK1 (0.54) BACE1ALDH1A1POLBKDM4EGAA

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
EP-1742904-B1 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2012-10-31 EP disclosed
US-7825278-B2 Substituted enaminones, their derivatives and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-11-02 US disclosed
US-20080064748-A1 Substituted enaminones, their derivatives and uses thereof OXFORD FINANCE CORPORATION 2008-03-13 US disclosed
EP-1742904-A4 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2007-04-18 EP disclosed
EP-1742904-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-17 EP disclosed
WO-2005108347-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-17 WO 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-20080064748-A1 Substituted enaminones, their derivatives and uses thereof GABRB2, GABRB1, GABRB3 BACE1 696/4885CES2 1007/4885CES1 1398/4885

“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.