SCHEMBL15710686

SCHEMBL15710686

CCO/C(=C\C(C)C)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 5/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
HPGD P15428 1/20 0.34
CAD P27708 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
GRIK1 P39086 2/20 0.32
GRIA2 P42262 2/20 0.32
GRIA4 P48058 2/20 0.32
GRIK3 Q13003 2/20 0.32
GRIK5 Q16478 2/20 0.32

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
SCHEMBL15710689 1.00 ALOX15 (0.44) ALOX15ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL15887768 0.75 ALOX15 (0.44) ALOX15ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL27656796 0.74 ALOX15 (0.48) ALOX15ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL28210437 0.74 ALOX15 (0.48) ALOX15ALDH1A1LMNAHSD17B10MGAM
SCHEMBL1135174 0.74 ALOX15 (0.48) ALOX15ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL5073341 0.72 ALOX15 (0.46) ALOX15ALDH1A1LMNAHSD17B10MGAM
SCHEMBL28111664 0.72 ALOX15 (0.46) ALOX15ALDH1A1LMNAHSD17B10MGAM
SCHEMBL28210435 0.72 ALOX15 (0.46) ALOX15ALDH1A1LMNAHSD17B10CYP2D6
SCHEMBL15015528 0.71 ALOX15 (0.44) ALOX15ALDH1A1LMNAHSD17B10MGAM
SCHEMBL11418961 0.71 ALDH1A1 (0.41) ALOX15ALDH1A1LMNAHSD17B10CYP2D6

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-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2016-09-08 US disclosed
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-05-22 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-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK ALOX15 1353/4885ALDH1A1 4110/4885LMNA 4213/4885
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK ALOX15 1353/4885ALDH1A1 4110/4885LMNA 4213/4885

“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.