SCHEMBL2132604

SCHEMBL2132604

CCCCNC(=O)OCC#I

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.63
EPHX1 P07099 2/20 0.48
ALOX15 P16050 1/20 0.44

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
Iodocarb SCHEMBL114369 0.82 ACHE (0.59) ACHEEPHX1ALOX15
SCHEMBL5144907 0.81 ACHE (0.63) ACHEEPHX1ALOX15
SCHEMBL19750277 0.81 ACHE (0.63) ACHEEPHX1ALOX15
SCHEMBL18998937 0.80 ACHE (0.61) ACHEEPHX1ALOX15
SCHEMBL22824279 0.80 ACHE (0.61) ACHEEPHX1ALOX15
SCHEMBL10045769 0.79 ACHE (0.70) ACHEEPHX1ALOX15
SCHEMBL593415 0.78 ACHE (0.76) ACHEEPHX1ALOX15
SCHEMBL6688663 0.77 ACHE (0.53) ACHEEPHX1
SCHEMBL3975468 0.76 ACHE (0.88) ACHEEPHX1
Hexane SCHEMBL28986114 0.76 ACHE (0.73) ACHEEPHX1

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-20120100361-A1 ANTISEPTIC COMPOSITION FOR ENGINEERING WOOD PRODUCTION, AND ENGINEERING WOOD SDS BIOTECH K.K. (JP) 2012-04-26 US disclosed
US-20050148592-A1 Use of riboflavin and flavin derivatives as chitinase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2005-07-07 US disclosed
US-6875766-B2 Use of riboflavin and flavin derivatives as chitinase inhibitors BAYER AG (DE) 2005-04-05 US disclosed
US-20030191091-A1 Use of riboflavin and flavin derivatives as chitinase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2003-10-09 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 (2 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-20030191091-A1 Use of riboflavin and flavin derivatives as chitinase inhibitors BLVRB, CHIA, CHIT1 ACHE 282/4885EPHX1 230/4885ALOX15 1013/4885
US-20050148592-A1 Use of riboflavin and flavin derivatives as chitinase inhibitors BLVRB, CHIA, CHIT1 ACHE 282/4885EPHX1 230/4885ALOX15 1013/4885

“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.