SCHEMBL19667941

SCHEMBL19667941

CC(C)CCOCC(=O)OCC(O)CO

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 3/20 0.45
DUSP3 P51452 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
DGKA P23743 1/20 0.39
FAAH O00519 4/20 0.38
USP2 O75604 1/20 0.35
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP19A1 P11511 1/20 0.33
CNR2 P34972 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
SCHEMBL27997543 0.82 MEN1 (0.46) TDP1KDM4EDUSP3MEN1KMT2A
SCHEMBL8946732 0.80 KDM4E (0.61) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL1685688 0.80 LMNA (0.50) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL9504297 0.80 TDP1 (0.68) TDP1KDM4EKMT2ALMNAHSD17B10
SCHEMBL27916965 0.79 MEN1 (0.44) TDP1KDM4EDUSP3MEN1KMT2A
SCHEMBL8946611 0.79 KDM4E (0.54) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL116747 0.78 USP2 (0.53) TDP1LMNAHSD17B10ALDH1A1USP2
SCHEMBL28341190 0.77 TDP1 (0.64) TDP1KDM4ELMNAHSD17B10ALDH1A1
SCHEMBL27470862 0.77 TDP1 (0.64) TDP1KDM4EKMT2AHSD17B10ALDH1A1
SCHEMBL4885377 0.75 TDP1 (0.57) TDP1KDM4EKMT2AHSD17B10ALDH1A1

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-9981937-B2 Orthoformic acid esters as pro-fragrances HENKEL AG & CO. KGAA (DE) 2018-05-29 US disclosed
US-20170349565-A1 ORTHOFORMIC ACID ESTERS AS PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2017-12-07 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-20170349565-A1 ORTHOFORMIC ACID ESTERS AS PRO-FRAGRANCES FAAH, NISCH, ELOVL6 TDP1 1924/4885KDM4E 2361/4885DUSP3 4247/4885

“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.