SCHEMBL4388227

SCHEMBL4388227

CC(OC(=O)OCc1ccccc1)OC(=O)C(CCCCCCCC(=O)O)C(C)OC(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
FOLH1 Q04609 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PABPC1 P11940 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
EIF4H Q15056 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
PTGER4 P35408 3/20 0.36
PTGER1 P34995 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 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
SCHEMBL4393835 1.00 HTT (0.41) HTTMAPTRXFP1FOLH1ALDH1A1
SCHEMBL4395388 1.00 HTT (0.41) HTTMAPTRXFP1FOLH1ALDH1A1
SCHEMBL4397152 1.00 HTT (0.41) HTTMAPTRXFP1FOLH1ALDH1A1
SCHEMBL4383967 1.00 HTT (0.41) HTTMAPTRXFP1FOLH1ALDH1A1
SCHEMBL4388764 0.99 HTT (0.42) HTTMAPTRXFP1FOLH1ALDH1A1
SCHEMBL3830837 0.83 HTT (0.47) HTTMAPTRXFP1ALDH1A1CYP1A2
SCHEMBL4389690 0.83 TSHR (0.48) HTTMAPTRXFP1ALDH1A1TSHR
SCHEMBL4389709 0.83 TSHR (0.48) HTTMAPTRXFP1ALDH1A1TSHR
SCHEMBL4381334 0.83 TSHR (0.48) HTTMAPTRXFP1ALDH1A1TSHR
SCHEMBL4389944 0.83 TSHR (0.48) HTTMAPTRXFP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629383-B2 Double esters DRUG DISCOVERY LABORATORY AS (NO) 2009-12-08 US disclosed
US-20050203181-A1 Double esters DRUG DISCOVERY LABORATORY AS (NO) 2005-09-15 US 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-20050203181-A1 Double esters ACACA, CES1, ACACB HTT 3554/4885MAPT 4589/4885RXFP1 4035/4885

“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.