SCHEMBL9918830

SCHEMBL9918830

C#CCCC(CCC#N)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9918197 0.88 TSHR (0.55) TSHRALDH1A1TDP1
SCHEMBL23713956 0.79 TSHR (0.46) TSHRALDH1A1TDP1
SCHEMBL26507941 0.77 TSHR (0.44) TSHRALDH1A1TDP1
SCHEMBL25486253 0.77 TSHR (0.44) TSHRALDH1A1TDP1
SCHEMBL14791095 0.76 TSHR (0.54) TSHRALDH1A1TDP1
SCHEMBL26498131 0.71 TSHR (0.42) TSHRALDH1A1TDP1
SCHEMBL9918268 0.71 TSHR (0.39) TSHR
SCHEMBL25891679 0.70
SCHEMBL9918270 0.69 TSHR (0.36) TSHR
SCHEMBL6583234 0.69

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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 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 (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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 TSHR 2900/4885ALDH1A1 1654/4885TDP1 2655/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 TSHR 2606/4885ALDH1A1 1507/4885TDP1 2833/4885

“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.