SCHEMBL5018029

SCHEMBL5018029

C=CC(=O)CC(CC(=O)OCC)OCOC

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TRPA1 O75762 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
SCHEMBL5018030 1.00 ALDH1A1 (0.34) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL3772769 0.88 ALDH1A1 (0.36) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL5016554 0.88 ALDH1A1 (0.36) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL1268514 0.87 GAA (0.43) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL1268677 0.85 MGAM (0.41) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL27617039 0.81 MGAM (0.38) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL5023412 0.78 RRM1 (0.36) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL5023413 0.78 RRM1 (0.36) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL28479927 0.78 MGAM (0.38) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL28479929 0.78 MGAM (0.38) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312466-A1 Synthesis and intermediates OHRLEIN REINHOLD 2008-12-18 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-20080312466-A1 Synthesis and intermediates HMGCR, SREBF1, COASY ALDH1A1 1326/4885CYP3A4 87/4885ALOX15 260/4885

“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.