SCHEMBL6887491

SCHEMBL6887491

C=CCC1(C2=CCCCC2)C(=O)NC(=S)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL11561765 0.85 MMP9 (0.35) MEN1KMT2A
Cyclobarbital SCHEMBL157224 0.69 MEN1 (0.44) MEN1KMT2AALDH1A1HCAR2
SCHEMBL6246587 0.69 GRIN2D (0.35) MEN1KMT2AALDH1A1HCAR2
Cyclobarbital SCHEMBL5458050 0.69 HCAR2 (0.40) MEN1KMT2AHCAR2
Cyclobarbital SCHEMBL7617865 0.69 MEN1 (0.31) MEN1KMT2A
Cyclobarbital SCHEMBL1256543 0.68 MEN1 (0.43) MEN1KMT2AALDH1A1HCAR2
Heptabarbital SCHEMBL713359 0.68 MEN1 (0.43) MEN1KMT2AALDH1A1HCAR2
SCHEMBL437249 0.67 MEN1 (0.35) MEN1KMT2AALDH1A1
Cyclobarbital SCHEMBL7698655 0.67 MEN1 (0.42) MEN1KMT2AHCAR2
SCHEMBL4530091 0.65 KMT2A (0.50) MEN1KMT2AALDH1A1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186075-A1 High-energy cyclodextrin complexes LOFTSSON THORSTEINN (IS) 2004-09-23 US disclosed
US-6699849-B1 BIOAVAILABILITY CYCLOPS, EHF. (IS) 2004-03-02 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-20040186075-A1 High-energy cyclodextrin complexes GYS2, SI, GYS1 MEN1 3887/4885KMT2A 4743/4885ALDH1A1 4506/4885

“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.