SCHEMBL23771196

SCHEMBL23771196

COC(=O)CC(C)C(C)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TSHR P16473 4/20 0.39
▸ HSD17B10 Q99714 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ KCNA5 P22460 3/20 0.34
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CHRNB2 P17787 5/20 0.32
▸ CHRNA4 P43681 5/20 0.32
▸ CHRNB4 P30926 3/20 0.31
▸ CHRNA3 P32297 2/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ ABCB1 P08183 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
SCHEMBL5077875 0.81 TSHR (0.50) MEN1KMT2ATSHRHSD17B10MGAM
SCHEMBL5081302 0.81 TSHR (0.50) MEN1KMT2ATSHRHSD17B10MGAM
SCHEMBL23771149 0.81 TSHR (0.37) MEN1KMT2ATSHRHSD17B10MGAM
SCHEMBL9774513 0.77 CHRNB2 (0.42) MEN1KMT2ATSHRHSD17B10MGAM
SCHEMBL9908330 0.77 TSHR (0.46) MEN1KMT2ATSHRHSD17B10MGAM
SCHEMBL9153932 0.75 TSHR (0.43) MEN1KMT2ATSHRHSD17B10MGAM
SCHEMBL16291989 0.75 ALDH1A1 (0.48) CHRNB2CHRNA4CHRNB4
SCHEMBL14763918 0.75 TSHR (0.43) MEN1KMT2ATSHRHSD17B10MGAM
SCHEMBL23771191 0.73 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10201330 0.73 TSHR (0.42) MEN1KMT2ATSHRHSD17B10MGAM

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-20230130822-A1 LOW TOXICITY NMP SUBSTITUTES AND USES THEREOF ADVANCION CORPORATION 2023-04-27 — — US disclosed
WO-2021163348-A2 LOW TOXICITY NMP SUBSTITUTES AND USES THEREOF ANGUS CHEMICAL COMPANY (US) 2021-08-19 — — WO 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-20230130822-A1 LOW TOXICITY NMP SUBSTITUTES AND USES THEREOF NME4, NMBR, NMUR1 MEN1 312/4885KMT2A 4352/4885TSHR 3306/4885

“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.

Send feedback