SCHEMBL6697213

SCHEMBL6697213

O=C(CCCC(=O)OCC1CC2CCC1C2)OCC1CC2CCC1C2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SIRT5 Q9NXA8 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LPAR1 Q92633 2/20 0.34
LPAR3 Q9UBY5 2/20 0.34

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
SCHEMBL6694096 0.97 ALDH1A1 (0.40) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL6695348 0.95 ALDH1A1 (0.39) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL6697793 0.93 ALDH1A1 (0.45) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL32688856 0.91 ALDH1A1 (0.42) ALDH1A1EPHX2LPAR1LPAR3
SCHEMBL32688733 0.87 ALDH1A1 (0.44) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL6697591 0.86 MEN1 (0.45) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL10358420 0.83 MEN1 (0.41) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL9810566 0.81 MEN1 (0.42) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL31716524 0.80 MEN1 (0.42) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL13277673 0.80 MEN1 (0.42) LMNAPOLBALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040210081-A1 Carboxylic esters based on 2-hydroxymethylnorbornane CELANESE CHEMICALS EUROPE GMBH (DE) 2004-10-21 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-20040210081-A1 Carboxylic esters based on 2-hydroxymethylnorbornane TAF1, HSD17B10, SULT1E1 LMNA 1798/4885POLB 1104/4885ALDH1A1 182/4885

“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.