SCHEMBL5539764

SCHEMBL5539764

CCCC(C)(C)NOC(C)(C)C(=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
ADRA1A P35348 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL942646 0.69 ALDH1A1 (0.39) ALDH1A1TSHRLMNACYP3A4NFKB1
SCHEMBL5538355 0.68 CYP2D6 (0.35)
SCHEMBL5532692 0.68 ALDH1A1 (0.38) ALDH1A1TSHRLMNACYP3A4NFKB1
SCHEMBL5138301 0.68 CYP1A2 (0.43) ALDH1A1TSHRLMNACYP3A4NFKB1
SCHEMBL13164473 0.67 ALDH1A1 (0.53) ALDH1A1TSHRLMNACYP3A4NFKB1
SCHEMBL27410073 0.67 CYP1A2 (0.33) ALDH1A1LMNAHSD17B10
SCHEMBL943319 0.67 ALDH1A1 (0.40) ALDH1A1TSHRLMNACYP3A4NFKB1
SCHEMBL944287 0.67 ALDH1A1 (0.37) ALDH1A1TSHRLMNACYP3A4NFKB1
SCHEMBL942978 0.67 ALDH1A1 (0.37) ALDH1A1TSHRLMNACYP3A4NFKB1
SCHEMBL17192924 0.66 FDPS (0.34) ALDH1A1TSHRLMNACYP3A4NFKB1

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 ALDH1A1 2256/4885TSHR 4535/4885LMNA 3219/4885

“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.