SCHEMBL10119353

SCHEMBL10119353

CC(C)CCCCNC(=O)OCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.46
ALOX15 P16050 1/20 0.44
ACHE P22303 8/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
EPHX1 P07099 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39

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
SCHEMBL10120804 0.86 SMN1; SMN2 (0.50) LMNAALDH1A1SMN1; SMN2ALOX15ACHE
SCHEMBL8193146 0.85 ACHE (0.53) LMNAALDH1A1SMN1; SMN2ALOX15ACHE
SCHEMBL12787597 0.85 ACHE (0.48) ACHEHRH3EPHX1CHRNB2CHRNB4
SCHEMBL10141268 0.85 ACHE (0.58) LMNAALDH1A1SMN1; SMN2ALOX15ACHE
SCHEMBL15548260 0.85 LMNA (0.49) LMNAALDH1A1SMN1; SMN2ALOX15ACHE
SCHEMBL11242696 0.84 ACHE (0.49) ACHEHRH3EPHX1CHRNB2CHRNB4
SCHEMBL27357581 0.84 EPHX1 (0.61) ALOX15ACHEEPHX1
SCHEMBL8186241 0.84 ACHE (0.56) LMNAALDH1A1SMN1; SMN2ALOX15ACHE
SCHEMBL13296433 0.83 ACHE (0.66) LMNAALDH1A1SMN1; SMN2ALOX15ACHE
SCHEMBL12787604 0.82 EPHX1 (0.59) ACHEHRH3MAPK1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 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 (2 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 LMNA 2800/4885ALDH1A1 365/4885SMN1; SMN2 4162/4885
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 LMNA 2800/4885ALDH1A1 365/4885SMN1; SMN2 4162/4885

“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.