SCHEMBL7370377

SCHEMBL7370377

CCOC(=O)CCCCC(=O)C(C)(OC)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
GAA P10253 2/20 0.44
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DGKA P23743 1/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS2 P35354 1/20 0.41
PDE4D Q08499 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
KMT2A Q03164 2/20 0.39

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
SCHEMBL50610 0.79 CYP1A2 (0.73) CYP1A2GAAALDH1A1ALOX15TDP1
SCHEMBL8570508 0.79 CYP1A2 (0.73) CYP1A2GAAALDH1A1ALOX15TDP1
SCHEMBL8838664 0.78 DGKA (0.60) CYP1A2GAAALDH1A1ALOX15TDP1
SCHEMBL29019882 0.78 CYP1A2 (0.50) CYP1A2GAAALDH1A1ALOX15TDP1
SCHEMBL33870 0.77 CYP1A2 (0.70) CYP1A2GAAALDH1A1ALOX15TDP1
SCHEMBL495925 0.77 CYP1A2 (0.70) CYP1A2GAAALDH1A1ALOX15TDP1
SCHEMBL440349 0.77 CYP1A2 (0.70) CYP1A2GAAALDH1A1ALOX15TDP1
SCHEMBL19066941 0.77 CYP1A2 (0.70) CYP1A2GAAALDH1A1ALOX15TDP1
Diethyl Octadecanedioate SCHEMBL496152 0.77 CYP1A2 (0.70) CYP1A2GAAALDH1A1ALOX15TDP1
SCHEMBL8642215 0.77 CYP1A2 (0.70) CYP1A2GAAALDH1A1ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 WO 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 (2 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-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 CYP1A2 2067/4885GAA 477/4885ALDH1A1 546/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 CYP1A2 2656/4885GAA 72/4885ALDH1A1 302/4885

“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.