SCHEMBL15479224

SCHEMBL15479224

COc1ccc2cc(C(C)C(=O)OC(C(=O)O)C(OC(=O)C(C)c3ccc4cc(OC)ccc4c3)C(=O)O)ccc2c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.76
L3MBTL1 Q9Y468 1/20 0.76
AKR1C3 P42330 7/20 0.73
AKR1C2 P52895 7/20 0.73
PTGS2 P35354 6/20 0.73
PTGS1 P23219 3/20 0.73
TSHR P16473 2/20 0.73
CDC42 P60953 1/20 0.73
RAC1 P63000 1/20 0.73
CYP1A2 P05177 1/20 0.73
SLC22A6 Q4U2R8 1/20 0.73
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
AKR1C1 Q04828 1/20 0.56

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
SCHEMBL9284416 0.87 TDP1 (1.00) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
Naproxen SCHEMBL29350675 0.85 AKR1C3 (1.00) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
Naproxen SCHEMBL616149 0.85 AKR1C3 (1.00) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
Naproxen SCHEMBL30346195 0.85 AKR1C3 (1.00) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
Naproxen SCHEMBL215236 0.85 AKR1C3 (1.00) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
Naproxen SCHEMBL10029028 0.85 AKR1C3 (1.00) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
Naproxen SCHEMBL3046 0.85 AKR1C3 (1.00) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
Naproxen SCHEMBL42434 0.85 AKR1C3 (1.00) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
Naproxen SCHEMBL29360045 0.85 AKR1C3 (1.00) TDP1L3MBTL1AKR1C3AKR1C2PTGS2
Naproxen SCHEMBL29359528 0.85 AKR1C3 (1.00) TDP1L3MBTL1AKR1C3AKR1C2PTGS2

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-9144579-B2 Polyesters and methods of use thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-09-29 US disclosed
US-20140050692-A1 POLYESTERS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-02-20 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-20140050692-A1 POLYESTERS AND METHODS OF USE THEREOF TLR3, PTGES3, CD68 TDP1 1747/4885L3MBTL1 2952/4885AKR1C3 723/4885

“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.