SCHEMBL6890760

SCHEMBL6890760

C=CCC1(Br)C(=O)NC(=O)N(C(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.36
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NR1I2 O75469 1/20 0.30
CYP3A4 P08684 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
SCHEMBL2047807 0.67 MMP9 (0.33) MMP9
SCHEMBL2051235 0.64 MMP9 (0.36) MMP9CYP3A4
SCHEMBL25957 0.62 MMP9 (0.46) MMP9NR1I2CYP3A4
SCHEMBL828185 0.62 ALDH1A1 (0.33) ALDH1A1MAPTCYP3A4
Hydrochloric Acid SCHEMBL829889 0.61 MAPT (0.34) ALDH1A1MAPT
SCHEMBL2049685 0.60 GABRA1 (0.41) MMP9
SCHEMBL14788952 0.59 MMP9 (0.50) MMP9ALDH1A1NR1I2CYP3A4
SCHEMBL15974732 0.59 GABRA1 (0.40) MMP9
SCHEMBL10587993 0.59 MMP9 (0.32) MMP9
SCHEMBL10281706 0.58 CYP3A4 (0.60) MMP9ALDH1A1MAPTNR1I2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067942-A1 HIGH-ENERGY CYCLODEXTRIN COMPLEXES Cyclops, EHF. (IS) 2001-01-17 EP claimed
WO-1999042111-A1 HIGH-ENERGY CYCLODEXTRIN COMPLEXES CYCLOPS, EHF. (IS) 1999-08-26 WO claimed
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
EP-1067942-A1 HIGH-ENERGY CYCLODEXTRIN COMPLEXES Cyclops, EHF. (IS) 2001-01-17 EP disclosed
WO-1999042111-A1 HIGH-ENERGY CYCLODEXTRIN COMPLEXES CYCLOPS, EHF. (IS) 1999-08-26 WO 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 MMP9 4838/4885ALDH1A1 4506/4885MAPT 1489/4885

“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.