SCHEMBL12976898

SCHEMBL12976898

C=C(C)c1cc(C2(C(=O)OC)CCCCC2)cs1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.35
▸ CHRM3 P20309 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ HDAC1 Q13547 1/20 0.31
▸ MAPT P10636 4/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ APOBEC3A P31941 2/20 0.31
▸ APOBEC3G Q9HC16 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ HDAC4 P56524 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
SCHEMBL2867498 0.77 CTSD (0.41) LMNACHRM3HRH3MEN1KMT2A
SCHEMBL2871877 0.77 PRCP (0.40) LMNACHRM3HRH3MEN1KMT2A
SCHEMBL2875827 0.74 LMNA (0.34) LMNAMEN1KMT2ACYP3A4HDAC1
SCHEMBL8579286 0.70 CA2 (0.41) LMNACHRM3HRH3MEN1KMT2A
SCHEMBL2876825 0.70 KCNA3 (0.45) LMNACHRM3HRH3MEN1KMT2A
SCHEMBL1042494 0.68 HDAC4 (0.62) CHRM3MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL1042365 0.68 HDAC4 (0.62) CHRM3MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL1038755 0.68 HDAC4 (0.62) CHRM3MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL22996021 0.68 KCNA3 (0.46) LMNACHRM3HRH3MEN1KMT2A
SCHEMBL4830534 0.67 HDAC4 (0.43) LMNACHRM3HRH3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 — — US disclosed
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 — — US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 — — US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 — — 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-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP LMNA 1166/4885CHRM3 4327/4885HRH3 144/4885

“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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