SCHEMBL9918340

SCHEMBL9918340

C=C1Nc2cc(C(C)C)ccc2OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HPGD P15428 2/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
TRPA1 O75762 1/20 0.30
PTGS1 P23219 1/20 0.30
CACNA1C Q13936 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
SCHEMBL9920477 0.81 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL17660596 0.78 LMNA (0.33) ALDH1A1SMN1; SMN2HPGDGFERHSD17B10
SCHEMBL13091196 0.78 MMP12 (0.44) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL14804002 0.72 HPGD (0.38) ALDH1A1SMN1; SMN2HPGDGFERHSD17B10
SCHEMBL9918337 0.71 MMP12 (0.41) KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL21779696 0.71 HPGD (0.37) KDM4ESMN1; SMN2HPGDGFERHSD17B10
SCHEMBL12709607 0.70 MEN1 (0.36) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL2705717 0.68 ALOX5 (0.41) ALDH1A1HPGDGFERHSD17B10LMNA
SCHEMBL5518756 0.68 HPGD (0.33) ALDH1A1SMN1; SMN2HPGDGFERHSD17B10
SCHEMBL38657363 0.68 ALOX5 (0.41) ALDH1A1HPGDGFERHSD17B10LMNA

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 3 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
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives 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 (3 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 KDM4E 449/4885ALDH1A1 1632/4885SMN1; SMN2 3917/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 KDM4E 396/4885ALDH1A1 1654/4885SMN1; SMN2 4086/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 KDM4E 477/4885ALDH1A1 1507/4885SMN1; SMN2 4199/4885

“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.