SCHEMBL9920449

SCHEMBL9920449

O=C(c1ccccc1)[C@@H]1CCCC[C@H]1C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.58
DGAT1 O75907 3/20 0.51
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
HBB P68871 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SRD5A2 P31213 1/20 0.44
DAO P14920 1/20 0.44
TSHR P16473 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ALDH1A1 P00352 1/20 0.44
EPHX1 P07099 1/20 0.44
GLS O94925 1/20 0.43
KMO O15229 1/20 0.43

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
SCHEMBL6405466 0.94 DGAT1 (0.59) MCL1DGAT1MAPTRAB9AALDH1A1
SCHEMBL3316742 0.94 DGAT1 (0.59) MCL1DGAT1MAPTRAB9AALDH1A1
SCHEMBL20370264 0.94 DGAT1 (0.59) MCL1DGAT1MAPTRAB9AALDH1A1
SCHEMBL28814606 0.94 MCL1 (0.58) MCL1DGAT1MAPTALOX15HTT
SCHEMBL6399371 0.94 DGAT1 (0.59) MCL1DGAT1MAPTRAB9AALDH1A1
SCHEMBL6405464 0.94 DGAT1 (0.59) MCL1DGAT1MAPTRAB9AALDH1A1
SCHEMBL6399369 0.94 DGAT1 (0.59) MCL1DGAT1MAPTRAB9AALDH1A1
SCHEMBL22570568 0.91 MCL1 (0.52) MCL1DGAT1MAPTALOX15HTT
SCHEMBL8351873 0.90 MCL1 (0.50) MCL1DGAT1MAPTALOX15HTT
SCHEMBL5918565 0.90 MCL1 (0.50) MCL1DGAT1MAPTALOX15HTT

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-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 (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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 MCL1 58/4885DGAT1 4438/4885MAPT 4022/4885

“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.