SCHEMBL22146593

SCHEMBL22146593

CC/N=C/CNC(=O)OCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ TSHR P16473 7/20 0.38
▸ MAPK1 P28482 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HTT P42858 3/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CHRNB2 P17787 2/20 0.32
▸ CHRNB4 P30926 2/20 0.32
▸ CHRNA3 P32297 2/20 0.32
▸ CHRNA4 P43681 2/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL22146493 0.84 CHRNB2 (0.43) ALDH1A1MAPK1KDM4EHSD17B10CHRNB2
SCHEMBL9534277 0.77 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNATSHRMAPK1
SCHEMBL24131737 0.75 TSHR (0.52) SMN1; SMN2ALDH1A1LMNATSHRMAPK1
SCHEMBL965401 0.74 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1LMNATSHRMAPK1
SCHEMBL22146749 0.72 CHRNB2 (0.46) ALDH1A1LMNACHRNB2CHRNB4CHRNA3
SCHEMBL8381807 0.71 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNATSHRMAPK1
SCHEMBL12116102 0.71 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNATSHRMAPK1
SCHEMBL603785 0.70 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1LMNATSHRMAPK1
SCHEMBL4611409 0.70 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1LMNATSHRMAPK1
SCHEMBL603784 0.70 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1LMNATSHRMAPK1

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-20200197409-A1 HEPATITIS B VIRUS SURFACE ANTIGEN INHIBITOR FUJIAN COSUNTER PHARMACEUTICAL CO., LTD. (CN) 2020-06-25 — — 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-20200197409-A1 HEPATITIS B VIRUS SURFACE ANTIGEN INHIBITOR HAVCR2, CD74, HLA-B SMN1; SMN2 4656/4885ALDH1A1 1143/4885LMNA 4653/4885

“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.

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