SCHEMBL4388764

SCHEMBL4388764

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
FOLH1 Q04609 5/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
HDAC3 O15379 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
HDAC4 P56524 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 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
SCHEMBL4388227 0.99 HTT (0.41) HTTFOLH1ALDH1A1MAPTRXFP1
SCHEMBL4383967 0.99 HTT (0.41) HTTFOLH1ALDH1A1MAPTRXFP1
SCHEMBL4397152 0.99 HTT (0.41) HTTFOLH1ALDH1A1MAPTRXFP1
SCHEMBL4395388 0.99 HTT (0.41) HTTFOLH1ALDH1A1MAPTRXFP1
SCHEMBL4393835 0.99 HTT (0.41) HTTFOLH1ALDH1A1MAPTRXFP1
SCHEMBL4390818 0.82 TSHR (0.49) HTTALDH1A1MAPTRXFP1HDAC3
SCHEMBL3830837 0.82 HTT (0.47) HTTALDH1A1MAPTRXFP1PTGER1
SCHEMBL4381334 0.81 TSHR (0.48) HTTALDH1A1MAPTRXFP1HDAC3
SCHEMBL4389690 0.81 TSHR (0.48) HTTALDH1A1MAPTRXFP1HDAC3
SCHEMBL4389709 0.81 TSHR (0.48) HTTALDH1A1MAPTRXFP1HDAC3

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 3554/4885FOLH1 1201/4885ALDH1A1 296/4885

“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.