SCHEMBL5319863

SCHEMBL5319863

CCC(C)OC(=O)C(CCCOCc1ccc(OC)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
FFAR1 O14842 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL5321942 0.88 MAPT (0.43) L3MBTL1TDP1MAPTALDH1A1TSHR
SCHEMBL11261335 0.85 LDHA (0.49) LDHAMAPTKMT2AALDH1A1NPC1
SCHEMBL5319860 0.80 TDP1 (0.59) LDHAL3MBTL1TDP1KDM4EMAPT
SCHEMBL2672698 0.80 LDHA (0.67) LDHAMAPTALDH1A1HSD17B10
SCHEMBL11294410 0.80 PPARG (0.44) FFAR1MAPTCA1CA2NFKB1
SCHEMBL11296428 0.76 TDP1 (0.63) L3MBTL1TDP1MAPTMEN1KMT2A
SCHEMBL7236478 0.74 MTNR1A (0.49) L3MBTL1TDP1ALDH1A1TSHRMAPK1
SCHEMBL17432930 0.74 LDHA (0.53) LDHAL3MBTL1TDP1FFAR1ATM
SCHEMBL11290775 0.73 MEN1 (0.59) L3MBTL1TDP1KDM4EMAPTMEN1
SCHEMBL11294287 0.73 TDP1 (0.58) L3MBTL1TDP1MAPTMEN1KMT2A

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
WO-2007096261-A2 PROCESS FOR THE PREPARATION OF DIOXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
US-20070197615-A1 Process for the preparation of the PPAR alpha agonist NS-220 HOFFMANN-LA ROCHE INC. 2007-08-23 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-20070197615-A1 Process for the preparation of the PPAR alpha agonist NS-220 PPARD, PPARA, PPARG LDHA 3259/4885L3MBTL1 4870/4885TDP1 4281/4885

“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.