SCHEMBL3233309

SCHEMBL3233309

CCOC(=O)[C@@H](OCC)C(C)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.46
ESR2 Q92731 5/20 0.46
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
KMT2A Q03164 1/20 0.40
PTGS2 P35354 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 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
SCHEMBL4744499 1.00 ESR1 (0.46) ESR1ESR2CA12CA1CA2
SCHEMBL7255131 0.83 CA12 (0.45) ESR1ESR2CA12CA1CA2
SCHEMBL5325939 0.81 ESR1 (0.50) ESR1ESR2CA12CA1CA2
SCHEMBL14763374 0.78 ESR1 (0.50) ESR1ESR2CA12CA1CA2
SCHEMBL9232941 0.78 ESR1 (0.53) ESR1ESR2CA12CA1CA2
SCHEMBL9235662 0.78 ESR1 (0.53) ESR1ESR2CA12CA1CA2
SCHEMBL1792502 0.78 ESR1 (0.53) ESR1ESR2CA12CA1CA2
SCHEMBL1043357 0.75 ESR1 (0.55) ESR1ESR2CA12CA1CA2
SCHEMBL1395571 0.75 CA12 (0.55) ESR1ESR2CA12CA1CA2
Hydroquinone SCHEMBL27707760 0.75 CA12 (0.59) ESR1ESR2CA12CA1CA2

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-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2010-03-11 US disclosed
WO-2008108602-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2008-09-12 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 (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-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PPARA, PPARG, PPARD ESR1 1636/4885ESR2 799/4885CA12 4842/4885

“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.