SCHEMBL27101970

SCHEMBL27101970

C#CCCOC(=O)OCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS1 P23219 1/20 0.37
APEX1 P27695 1/20 0.37
THPO P40225 1/20 0.37
PMP22 Q01453 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.35
USP2 O75604 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ALOX5 P09917 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
SCHEMBL2105781 0.83 MEN1 (0.46) TSHRMEN1KMT2ACYP3A4CYP2C9
SCHEMBL13133074 0.81 TSHR (0.48) TSHRMEN1KMT2ACYP3A4LMNA
SCHEMBL22558049 0.81 TSHR (0.38) TSHRMEN1KMT2ACYP3A4LMNA
SCHEMBL577457 0.79
SCHEMBL25435787 0.78 TSHR (0.54) TSHRMEN1KMT2ACYP3A4LMNA
SCHEMBL37351 0.78 TSHR (0.54) TSHRMEN1KMT2ACYP3A4LMNA
SCHEMBL577097 0.78 ALDH1A1 (0.56) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL18537902 0.77 MEN1 (0.42) TSHRMEN1KMT2ACYP3A4CYP2C9
Ammonia Solution, Strong SCHEMBL9998248 0.76 TSHR (0.52) TSHRMEN1KMT2ACYP3A4LMNA
SCHEMBL22557979 0.76 TSHR (0.37) TSHRMEN1KMT2ACYP3A4LMNA

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-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 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-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS MPO, CAT, SOD1 TSHR 2529/4885MEN1 3340/4885KMT2A 1732/4885

“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.