SCHEMBL6400340

SCHEMBL6400340

CCCOC(=O)CC(O)CC(O)CC#N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DGKA P23743 1/20 0.33
KDM4E B2RXH2 2/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NAAA Q02083 1/20 0.30

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
SCHEMBL6155363 0.92 ALDH1A1 (0.34) ALDH1A1L3MBTL1DGKAKDM4EDUSP3
SCHEMBL4286159 0.91 NAAA (0.39) ALDH1A1L3MBTL1DGKAKDM4EDUSP3
SCHEMBL29980213 0.87 MGAM (0.38) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL8798167 0.82 NAAA (0.42) ALDH1A1L3MBTL1DGKAKDM4EDUSP3
SCHEMBL6155660 0.82 NAAA (0.42) ALDH1A1L3MBTL1DGKAKDM4EDUSP3
SCHEMBL8155173 0.81 TSHR (0.33) ALDH1A1L3MBTL1DGKAKDM4EDUSP3
SCHEMBL10087479 0.80 TSHR (0.33) MEN1KMT2AHSD17B10
SCHEMBL6155107 0.78 NAAA (0.40) ALDH1A1L3MBTL1DGKAKDM4EDUSP3
SCHEMBL395418 0.78 MGAM (0.41) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL391523 0.78 MGAM (0.41) ALDH1A1KDM4EMEN1KMT2ALMNA

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-6962994-B2 Process for the synthesis of 1,3-diols WARNER-LAMBERT COMPANY, LLC (US) 2005-11-08 US disclosed
US-20040006231-A1 Process for the synthesis of 1,3-diols BOSCH ROBERT LEE (US) 2004-01-08 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-20040006231-A1 Process for the synthesis of 1,3-diols HSD17B7, HSD11B1, BCKDK ALDH1A1 307/4885L3MBTL1 2123/4885DGKA 12/4885

“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.