SCHEMBL22696758

SCHEMBL22696758

CC(C)(C)C1CCCCC1NC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EPHX1 P07099 4/20 0.36
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
KDM4E B2RXH2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
ADRB2 P07550 1/20 0.30
EPHX2 P34913 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
SCHEMBL20061131 0.75 ALDH1A1 (0.69) ALDH1A1HSD17B10EPHX1MGAMSI
SCHEMBL4739291 0.75 ALDH1A1 (0.69) ALDH1A1HSD17B10EPHX1MGAMSI
SCHEMBL20061142 0.75 ALDH1A1 (0.69) ALDH1A1HSD17B10EPHX1MGAMSI
SCHEMBL15887777 0.75 ALDH1A1 (0.33) ALDH1A1HSD17B10SIGMAR1
SCHEMBL24954674 0.75
SCHEMBL12265153 0.75
SCHEMBL9358965 0.73 ALDH1A1 (0.75) ALDH1A1HSD17B10EPHX1BCHEACHE
SCHEMBL10742753 0.73 EPHX1 (0.31) EPHX1
SCHEMBL21080869 0.73
SCHEMBL21080888 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369621-A1 SUBSTITUTED IMIDAZOLECARBOXYLATE DERIVATIVES AND THE USE THEREOF CHENGDU MFS PHARMA. CO., LTD. (CN) 2020-11-26 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-20200369621-A1 SUBSTITUTED IMIDAZOLECARBOXYLATE DERIVATIVES AND THE USE THEREOF SLC6A13, SLC6A11, SLC6A1 ALDH1A1 396/4885HSD17B10 501/4885EPHX1 647/4885

“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.