SCHEMBL7068385

SCHEMBL7068385

CCCCOC=CC(=O)C(=O)OCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
HCAR2 Q8TDS4 4/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 5/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NAAA Q02083 1/20 0.32
DGKA P23743 1/20 0.32
RAD52 P43351 1/20 0.32
ACHE P22303 1/20 0.32
APP P05067 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL7067452 0.95 ATM (0.52) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL7071631 0.93 ATM (0.50) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL7074062 0.91 HCAR2 (0.42) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL7068400 0.89 ATM (0.46) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL7068403 0.89 ATM (0.46) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL7073359 0.86 ATM (0.50) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL7073361 0.86 ATM (0.50) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL7073650 0.85 HCAR2 (0.41) ATMHCAR2ALDH1A1TSHRNPSR1
SCHEMBL7073648 0.85 HCAR2 (0.41) ATMHCAR2ALDH1A1TSHRNPSR1
SCHEMBL7067820 0.84 ATM (0.42) ATMHCAR2ALDH1A1TSHRHPGD

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 ATM 2619/4885HCAR2 672/4885ALDH1A1 273/4885

“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.