SCHEMBL9918360

SCHEMBL9918360

Cc1cc(C(C)C)cc(C)c1OCC#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
SCN4A P35499 7/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH2 P05091 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ACHE P22303 4/20 0.33
BCHE P06276 3/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 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
SCHEMBL9918889 0.81 MAOA (0.35) POLBALDH1A1GAASCN4ASMN1; SMN2
SCHEMBL15650224 0.77 POLB (0.46) POLBALDH1A1GAASCN4ASMN1; SMN2
SCHEMBL4848408 0.77 SCN4A (0.47) POLBALDH1A1GAASCN4ASMN1; SMN2
SCHEMBL9945999 0.76 POLB (0.40) POLBALDH1A1GAASCN4AHTT
SCHEMBL12833304 0.75 SCN4A (0.44) SCN4AADRA2AADRA2BADRA2CADRA1D
SCHEMBL21483559 0.73 SCN4A (0.36) SCN4AACHEBCHEADRA2AADRA2B
SCHEMBL1825131 0.72 SCN4A (0.47) ALDH1A1SCN4AKDM4ECA12CA1
SCHEMBL9946026 0.72 THRA (0.41) ALDH1A1SCN4ASMN1; SMN2HTTL3MBTL1
SCHEMBL14416508 0.72 HTR1A (0.42) ALDH1A1GAASCN4ASMN1; SMN2KDM4E
SCHEMBL7979651 0.71 ADRA2A (0.40) ALDH1A1KDM4EACHEBCHEADRA2A

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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 POLB 3280/4885ALDH1A1 1507/4885GAA 3039/4885

“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.