SCHEMBL5530357

SCHEMBL5530357

C=C(ONCC(C)C)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.36
MMP1 P03956 1/20 0.32
MMP8 P22894 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
KISS1R Q969F8 2/20 0.30
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL7004223 0.78
Hydrochloric Acid SCHEMBL28227999 0.76 CYP2D6 (0.41) CYP2D6CYP2C19TSHRMMP1MMP8
SCHEMBL943051 0.75 CYP2D6 (0.37) CYP2D6CYP2C19TSHRMMP1MMP8
SCHEMBL27492429 0.75 CYP2D6 (0.44) CYP2D6CYP2C19TSHRMMP1MMP8
SCHEMBL944260 0.72 ADH1B (0.39) CYP2D6CYP2C19
SCHEMBL3675855 0.72 CYP2D6 (0.34) CYP2D6CYP2C19TSHRMMP1MMP8
SCHEMBL4627051 0.71
SCHEMBL27523596 0.70 CYP2D6 (0.39) CYP2D6CYP2C19TSHRMMP1MMP8
SCHEMBL27762872 0.70 MMP1 (0.41) CYP2D6CYP2C19MMP1MMP8ALDH1A1
Ammonia Solution, Strong SCHEMBL27695584 0.68 MMP1 (0.39) CYP2D6CYP2C19MMP1MMP8ALDH1A1

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-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-03-08 US disclosed
EP-1717221-A1 PROCESSES FOR PRODUCTION OF ALPHA-AMINOOXYKETONES AND ALPHA-HYDROXYKETONES Japan Science and Technology Agency (JP) 2006-11-02 EP 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-20070055081-A1 Processes for production of alpha-aminooxyketones and alpha-hydroxyketones KHK, HCCS, XDH CYP2D6 345/4885CYP2C19 1385/4885TSHR 4535/4885

“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.