SCHEMBL5897596

SCHEMBL5897596

COC(=O)C1CCC(c2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A3 Q01959 5/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.41

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
SCHEMBL4136122 0.91 TP53 (0.52) POLBTP53L3MBTL1SLC6A3SLC6A4
SCHEMBL4059047 0.91 TP53 (0.49) POLBTP53L3MBTL1SLC6A3SLC6A4
SCHEMBL5897594 0.84 MMP1 (0.46) TP53L3MBTL1SLC6A3SLC6A4SLC6A2
SCHEMBL5896818 0.84 GPBAR1 (0.48) TP53SLC6A3SLC6A4SLC6A2
SCHEMBL360491 0.83 TSHR (0.50) TP53L3MBTL1KDM4ETSHR
SCHEMBL10266701 0.81 TP53 (0.47) POLBTP53L3MBTL1TSHR
SCHEMBL5896844 0.80 DDB1 (0.42) POLBL3MBTL1KDM4ETSHR
SCHEMBL512937 0.79 PKM (0.51) POLBTP53L3MBTL1KDM4ETSHR
SCHEMBL5896882 0.78 CRBN (0.51) KDM4E
SCHEMBL13882832 0.76 CYP1A2 (0.46) TP53ATM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637525-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637525-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-7038087-B2 Process for the production of optically active amino alcohols TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-05-02 US disclosed
US-20040063999-A1 Process for the production of optically active amino alcohols TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-04-01 US disclosed
EP-1398310-A1 Process for the production of optically active amino alcohols Takasago International Corporation (JP) 2004-03-17 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 (2 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-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP POLB 1809/4885TP53 2289/4885L3MBTL1 3819/4885
US-20040063999-A1 Process for the production of optically active amino alcohols ADH1C, ADH1A, ADH5 POLB 2189/4885TP53 4790/4885L3MBTL1 2538/4885

“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.