SCHEMBL3729663

SCHEMBL3729663

CC(C)COc1ccc(Cl)cc1OCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.60
TSHR P16473 1/20 0.58
MAPT P10636 1/20 0.56
PTGDR2 Q9Y5Y4 13/20 0.54
PTGDR Q13258 5/20 0.51
PTGER1 P34995 1/20 0.50
PTGER2 P43116 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL5389347 0.87 TDP1 (0.77) TDP1TSHRMAPTPTGDR2PTGDR
SCHEMBL1332214 0.81 TDP1 (0.68) TDP1TSHRMAPTPTGDR2PTGDR
SCHEMBL3738383 0.79 LMNA (0.50) TDP1MAPTPTGER1SMN1; SMN2
SCHEMBL18528838 0.79 TDP1 (0.64) TDP1TSHRMAPTPTGDR2PTGDR
2,4-Dichlorophenoxyacetic Acid SCHEMBL910271 0.79 TDP1 (0.68) TDP1TSHRMAPTPTGDR2PTGDR
SCHEMBL13347438 0.78 KDM1A (0.54) TDP1MAPTPTGER1SMN1; SMN2
SCHEMBL4626761 0.78 MAPT (0.58) TDP1TSHRMAPTPTGDR2PTGDR
2,4-Dichlorophenoxyacetic Acid SCHEMBL29010254 0.78 TDP1 (0.82) TDP1TSHRMAPTPTGDR2SMN1; SMN2
SCHEMBL4271125 0.78 TDP1 (0.62) TDP1TSHRMAPTPTGDR2PTGDR
Metaxon SCHEMBL28681554 0.78 TDP1 (0.62) TDP1TSHRMAPTPTGDR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 TDP1 1661/4885TSHR 2858/4885MAPT 2890/4885

“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.