SCHEMBL22201718

SCHEMBL22201718

CCC(CC)N(CCN)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.38
ADH1A P07327 3/20 0.35
SHBG P04278 1/20 0.34
ADH1C P00326 2/20 0.33
EPHX1 P07099 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
SCHEMBL14398636 0.83 KMT2A (0.35) SLC2A1ADH1ASHBGADH1C
SCHEMBL7201658 0.80 ADH1A (0.39) ADH1AADH1CEPHX1
SCHEMBL4382413 0.78 ADH1A (0.36) ADH1AADH1C
SCHEMBL19333316 0.73 ADH1A (0.40) SLC2A1ADH1ASHBGADH1C
SCHEMBL24378399 0.71 ADH1A (0.34) ADH1AADH1CEPHX1
SCHEMBL20988082 0.70 SHBG (0.42) SLC2A1ADH1ASHBGADH1C
SCHEMBL10460375 0.69 ADH1A (0.41) ADH1AADH1C
SCHEMBL14355686 0.69 ADH1A (0.37) ADH1AADH1CEPHX1
SCHEMBL3186493 0.69 HRH3 (0.42) ADH1AADH1C
SCHEMBL13397455 0.69 DRD2 (0.33)

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-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2020-07-09 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-20200216431-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 SLC2A1 4751/4885ADH1A 4633/4885SHBG 4655/4885

“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.