SCHEMBL2784263

SCHEMBL2784263

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.45
ESR2 Q92731 5/20 0.45
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
SRC P12931 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
APP P05067 1/20 0.40
FOLH1 Q04609 1/20 0.39
MIF P14174 2/20 0.39
TDP1 Q9NUW8 3/20 0.37
CYP1A2 P05177 2/20 0.37
GAA P10253 2/20 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
SCHEMBL2783556 1.00 ESR1 (0.45) ESR1ESR2PDCD1CD274SRC
SCHEMBL6898472 0.84 HCAR2 (0.49) SRCCYP2C9CYP2C19CYP1A2GAA
SCHEMBL9479827 0.81 ESR1 (0.59) ESR1ESR2PDCD1CD274CA12
SCHEMBL2098150 0.79 ESR1 (0.47) ESR1ESR2PDCD1CD274CA12
SCHEMBL300994 0.79 ESR1 (0.47) ESR1ESR2PDCD1CD274CA12
SCHEMBL1823023 0.79 ESR1 (0.47) ESR1ESR2PDCD1CD274CA12
SCHEMBL11315776 0.79 CYP1A2 (0.44) CYP2C9CYP2C19CYP1A2GAAPKM
SCHEMBL300995 0.78 PPARG (0.43) ESR1ESR2PDCD1CD274SRC
SCHEMBL28950031 0.77 ESR1 (0.54) ESR1ESR2PDCD1CD274CA12
Methoxymethane SCHEMBL9478009 0.77 ESR1 (0.54) ESR1ESR2PDCD1CD274CA12

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
EP-2315739-B1 NEW PROPANOATES AND PROCESSES FOR PREPARING THE SAME DUPONT ELECTRONIC POLYMERS L P (US) 2014-11-12 EP claimed
WO-2010024841-A1 NEW PROPANOATES AND PROCESSES FOR PREPARING THE SAME DUPONT ELECTRONIC POLYMERS L.P. (US) 2010-03-04 WO claimed
US-20100047714-A1 New propanoates and processes for preparing the same U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2010-02-25 US claimed

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-20100047714-A1 New propanoates and processes for preparing the same HPD, HMBS, LDHB ESR1 1760/4885ESR2 2692/4885PDCD1 3014/4885

“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.