SCHEMBL5379799

SCHEMBL5379799

CCOC(=O)[C@@H](C)c1cccc(O)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
NLRP3 Q96P20 2/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 1/20 0.38
TYR P14679 1/20 0.38
ACHE P22303 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
PABPC1 P11940 1/20 0.37
LMNA P02545 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
SCHEMBL6718334 0.89 CA12 (0.49) CA1CA2CA12CA7CA9
SCHEMBL490336 0.85 MAPT (0.44) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7293347 0.84 CASP1 (0.45) NLRP3TSHRALDH1A1
SCHEMBL490582 0.83 CA1 (0.51) CA1CA2CA12CA7CA9
SCHEMBL31074064 0.82 TSHR (0.53) CA1CA2CA12CA7CA9
SCHEMBL10858287 0.82 TSHR (0.53) CA1CA2CA12CA7CA9
SCHEMBL28313768 0.81 PTGS2 (0.47) CA1CA2CA12CA7CA9
SCHEMBL11683620 0.80 CA12 (0.49) CA1CA2CA12CA7CA9
SCHEMBL11263712 0.78 KMT2A (0.49) TSHRTDP1L3MBTL1MAPTLMNA
SCHEMBL490607 0.77 AOC3 (0.46) TSHRMAPK1ALDH1A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 US disclosed
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA CA1 4386/4885CA2 2411/4885CA12 3435/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA CA1 4184/4885CA2 2413/4885CA12 3382/4885

“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.