SCHEMBL5951384

SCHEMBL5951384

c1ccc(C2CCCCC23CCCC3)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
GSK3B P49841 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
MAPT P10636 4/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 2/20 0.37
GRM5 P41594 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
SLC6A9 P48067 1/20 0.36
HSD11B1 P28845 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CCR1 P32246 1/20 0.35

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
SCHEMBL14363466 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EDDB1CRBNGSK3B
SCHEMBL14862969 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EDDB1CRBNGSK3B
SCHEMBL29620035 0.76 DDB1 (0.36) ALDH1A1KDM4EDDB1CRBNGSK3B
SCHEMBL30459575 0.75 ALDH1A1 (0.40) ALDH1A1KDM4EDDB1CRBNGSK3B
SCHEMBL1481510 0.72 ALDH1A1 (0.50) ALDH1A1KDM4EDDB1CRBNMAPT
SCHEMBL29742299 0.71 ALDH1A1 (0.50) ALDH1A1KDM4EDDB1CRBNMAPT
SCHEMBL29743227 0.71 ALDH1A1 (0.50) ALDH1A1KDM4EDDB1CRBNMAPT
SCHEMBL60671 0.71 ALDH1A1 (0.50) ALDH1A1KDM4EDDB1CRBNMAPT
SCHEMBL29743225 0.71 ALDH1A1 (0.50) ALDH1A1KDM4EDDB1CRBNMAPT
SCHEMBL2056505 0.71 ALDH1A1 (0.50) ALDH1A1KDM4EDDB1CRBNMAPT

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-20060074102-A1 Kinase inhibitors as therapeutic agents ABBOTT LABORATORIES 2006-04-06 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-20060074102-A1 Kinase inhibitors as therapeutic agents ABL1, MAP3K19, MAP3K20 ALDH1A1 2415/4885KDM4E 965/4885DDB1 1530/4885

“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.