SCHEMBL7068401

SCHEMBL7068401

CCCOC=CC(=O)C(=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZDHHC2 Q9UIJ5 1/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.39
FAAH O00519 7/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.36
ELANE P08246 2/20 0.36

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
SCHEMBL7070075 0.91 ZDHHC2 (0.45) ZDHHC2FAAH
SCHEMBL7070774 0.88 MAPT (0.40) ZDHHC2KMT2AMAPTALDH1A1MEN1
SCHEMBL7070772 0.88 MAPT (0.40) ZDHHC2KMT2AMAPTALDH1A1MEN1
SCHEMBL9750806 0.80 KMT2A (0.41) ZDHHC2KMT2AMAPTALDH1A1MEN1
SCHEMBL7071830 0.79 HTR1A (0.41) ZDHHC2KMT2AMAPTALDH1A1MEN1
SCHEMBL7071829 0.79 HTR1A (0.41) ZDHHC2KMT2AMAPTALDH1A1MEN1
SCHEMBL1885123 0.77 ZDHHC2 (0.55) ZDHHC2KMT2ATHRBFAAH
SCHEMBL27820208 0.75 ELANE (0.45) ZDHHC2KMT2AMAPTALDH1A1HPGD
SCHEMBL27550293 0.74 LMNA (0.51) KMT2AMAPTALDH1A1MEN1HPGD
SCHEMBL7074062 0.73 HCAR2 (0.42) ALDH1A1HPGDLMNAGAASMN1; 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 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 426/4885KMT2A 751/4885MAPT 4265/4885

“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.