SCHEMBL18865009

SCHEMBL18865009

CC1(C)CCCCC(CN)CCC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.38
CYP2D6 P10635 1/20 0.37
SIGMAR1 Q99720 1/20 0.31
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
LMNA P02545 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
SCHEMBL21103314 0.95 NCF1 (0.41) NCF1CYP2D6PLGPLATLMNA
SCHEMBL19315271 0.83 NCF1 (0.35) NCF1CYP2D6
SCHEMBL15541414 0.82 NCF1 (0.33) NCF1
SCHEMBL16874265 0.82 NCF1 (0.33) NCF1
SCHEMBL721012 0.82 NCF1 (0.33) NCF1
SCHEMBL15040100 0.80 NCF1 (0.44) NCF1PLGPLATLMNA
Hydrochloric Acid SCHEMBL7218558 0.80 NCF1 (0.32) NCF1
Hydrochloric Acid SCHEMBL1784451 0.78 NCF1 (0.42) NCF1PLGPLATLMNA
SCHEMBL27810 0.77
SCHEMBL5665365 0.74 CYP1A2 (0.39) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-20170137411-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2017-05-18 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-20170137411-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 NCF1 989/4885CYP2D6 3036/4885SIGMAR1 4066/4885
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 NCF1 989/4885CYP2D6 3036/4885SIGMAR1 4066/4885

“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.