SCHEMBL14130760

SCHEMBL14130760

CCOC(=O)c1cc(C#Cc2ccc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)nc2)ccc1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
SCD O00767 7/20 0.47
GBA1 P04062 1/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.42
P2RY12 Q9H244 1/20 0.41

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
SCHEMBL14130758 0.84 KDM4E (0.51) SMN1; SMN2KDM4ELMNASCDGBA1
SCHEMBL14130759 0.83 SCD (0.52) SMN1; SMN2KDM4ELMNASCDGBA1
SCHEMBL14130761 0.82 SCD (0.55) SMN1; SMN2KDM4ELMNASCDGBA1
SCHEMBL3831519 0.81 SMN1; SMN2 (0.49) SMN1; SMN2KDM4ELMNASCDGBA1
SCHEMBL3828484 0.80 SCD (0.51) SMN1; SMN2KDM4ELMNASCDGBA1
SCHEMBL3829390 0.79 SCD (0.59) SMN1; SMN2KDM4ELMNASCDGBA1
SCHEMBL3828608 0.78 SCD (0.53) SMN1; SMN2KDM4ELMNASCDGBA1
SCHEMBL14130734 0.78 SCD (0.59) SMN1; SMN2KDM4ELMNASCDGBA1
SCHEMBL3826427 0.78 SCD (0.52) SMN1; SMN2KDM4ELMNASCDGBA1
SCHEMBL3828698 0.78 SCD (0.58) SMN1; SMN2KDM4ELMNASCDGBA1

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-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 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-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA SMN1; SMN2 2065/4885KDM4E 1815/4885LMNA 823/4885

“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.