SCHEMBL3828484

SCHEMBL3828484

CC(=O)Oc1ccc(OCC#Cc2ccc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.51
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
GBA1 P04062 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL14130759 0.92 SCD (0.52) SCDKDM4ESMN1; SMN2LMNAGBA1
SCHEMBL3825117 0.91 SCD (0.51) SCDKDM4ESMN1; SMN2LMNA
SCHEMBL14130757 0.91 SCD (0.51) SCDKDM4ESMN1; SMN2LMNA
SCHEMBL14130733 0.90 KDM4E (0.52) SCDKDM4ESMN1; SMN2LMNAGBA1
SCHEMBL3825660 0.84 SCD (0.57) SCDKDM4ESMN1; SMN2LMNAGBA1
SCHEMBL5106995 0.84 SCD (0.59) SCDKDM4ESMN1; SMN2LMNA
SCHEMBL3828698 0.83 SCD (0.58) SCDKDM4ESMN1; SMN2LMNAGBA1
SCHEMBL3826308 0.83 SCD (0.54) SCDKDM4ESMN1; SMN2LMNAGBA1
SCHEMBL3832531 0.83 SCD (0.49) SCDKDM4ESMN1; SMN2LMNA
SCHEMBL14130758 0.83 KDM4E (0.51) SCDKDM4ESMN1; SMN2LMNAGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099755-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-09-16 EP disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 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-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA SCD 1/4885KDM4E 1815/4885SMN1; SMN2 2065/4885

“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.