SCHEMBL5023297

SCHEMBL5023297

CCOC(=O)CC(CC(=O)CCCl)OCOCCOC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM1 P11229 1/20 0.32
ADORA1 P30542 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL3778037 1.00 ALDH1A1 (0.35) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL5023336 0.88 ALDH1A1 (0.33) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL5023333 0.88 ALDH1A1 (0.33) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL27617042 0.82 ALDH1A1 (0.39) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL5016554 0.78 ALDH1A1 (0.36) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL3772769 0.78 ALDH1A1 (0.36) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL5138160 0.76 ALDH1A1 (0.33) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL6469747 0.76 ALDH1A1 (0.33) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL1268514 0.74 GAA (0.43) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL5017892 0.74 PRKCA (0.36) ALDH1A1CYP3A4ALOX15TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7420078-B2 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino 3,5-dihydroxy heptanoic acid derivatives, and intermediates thereof CIBA SPECIALTY CHEMICALS CORP. (US) 2008-09-02 US claimed
US-20040186313-A1 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino 3 5-dihydroxy heptanoic acid derivatives, and intermediates thereof CIBA SPECIALTY CHEMICALS CORP. 2004-09-23 US claimed
EP-1404639-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES ESPECIALLY 7-AMINO 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, AND INTERMEDIATES THEREOF Ciba SC Holding AG (CH) 2004-04-07 EP claimed
WO-2003004450-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES ESPECIALLY 7-AMINO 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, AND INTERMEDIATES THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-01-16 WO claimed

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-20040186313-A1 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino 3 5-dihydroxy heptanoic acid derivatives, and intermediates thereof HMGCR, CYP46A1, CYP7A1 ALDH1A1 490/4885CYP3A4 98/4885ALOX15 85/4885

“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.