SCHEMBL7070075

SCHEMBL7070075

CCCCOC=CC(=O)C(=O)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZDHHC2 Q9UIJ5 1/20 0.45
FAAH O00519 7/20 0.44
LTA4H P09960 2/20 0.41
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.39
PLA2G4B P0C869 1/20 0.39
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL7068401 0.91 ZDHHC2 (0.41) ZDHHC2FAAH
SCHEMBL1885123 0.87 ZDHHC2 (0.55) ZDHHC2FAAHLTA4HTSHRTDP1
SCHEMBL7070774 0.85 MAPT (0.40) ZDHHC2TDP1L3MBTL1
SCHEMBL7070772 0.85 MAPT (0.40) ZDHHC2TDP1L3MBTL1
SCHEMBL31619365 0.81 FAAH (0.45) ZDHHC2FAAHLTA4HTSHRTDP1
SCHEMBL7071829 0.77 HTR1A (0.41) ZDHHC2TDP1L3MBTL1
SCHEMBL7071830 0.77 HTR1A (0.41) ZDHHC2TDP1L3MBTL1
SCHEMBL9323400 0.75 TSHR (0.54) FAAHLTA4HTSHRTDP1L3MBTL1
SCHEMBL1790417 0.75 ATM (0.42) TSHR
SCHEMBL7067820 0.75 ATM (0.42) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6570015-B2 Reacting alpha-keto ester with an isothiourea UBE INDUSTRIES, LTD. (JP) 2003-05-27 US claimed
US-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate UBE INDUSTRIES, LTD. (JP) 2003-03-20 US claimed
US-6570015-B2 Reacting alpha-keto ester with an isothiourea UBE INDUSTRIES, LTD. (JP) 2003-05-27 US disclosed
US-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate UBE INDUSTRIES, LTD. (JP) 2003-03-20 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-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate DHFR, TYMS, DPYD ZDHHC2 426/4885FAAH 3029/4885LTA4H 2544/4885

“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.