SCHEMBL17998625

SCHEMBL17998625

CCC(C)C(=O)OC1COC2C(OC(C)=O)COC12

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCHE P06276 16/20 0.45
ALDH1A1 P00352 1/20 0.33
KLK7 P49862 1/20 0.32
KLK5 Q9Y337 1/20 0.32

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
SCHEMBL14368599 0.86 BCHE (0.44) BCHE
SCHEMBL20216104 0.83 BCHE (0.46) BCHEALDH1A1
SCHEMBL17518574 0.81 BCHE (0.40) BCHEKLK7KLK5
SCHEMBL7276665 0.81 BCHE (0.54) BCHEALDH1A1
SCHEMBL7150802 0.81 BCHE (0.54) BCHEALDH1A1
SCHEMBL16200950 0.81 BCHE (0.54) BCHEALDH1A1
SCHEMBL7152562 0.81 BCHE (0.54) BCHEALDH1A1
SCHEMBL12199932 0.81 BCHE (0.54) BCHEALDH1A1
SCHEMBL13972170 0.81 BCHE (0.54) BCHEALDH1A1
SCHEMBL29337144 0.78 BCHE (0.47) BCHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988393-B2 Isosorbide-based polymethacrylates REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-06-05 US disclosed
US-20160229863-A1 ISOSORBIDE-BASED POLYMETHACRYLATES REGENTS OF THE UNIVERSITY OF MINNESOTA 2016-08-11 US disclosed
US-20160229863-A1 ISOSORBIDE-BASED POLYMETHACRYLATES REGENTS OF THE UNIVERSITY OF MINNESOTA 2016-08-11 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-20160229863-A1 ISOSORBIDE-BASED POLYMETHACRYLATES AKR1C4, AKR1C3, AKR1C2 BCHE 1284/4885ALDH1A1 430/4885KLK7 2880/4885

“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.