SCHEMBL4089293

SCHEMBL4089293

O=C(O)c1cc(-c2ccc(C3CCCCC3)cc2)on1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
PTPN1 P18031 2/20 0.57
SCD5 Q86SK9 4/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
RECQL P46063 1/20 0.54
S1PR1 P21453 4/20 0.53
SCD O00767 2/20 0.53
S1PR3 Q99500 1/20 0.53
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 1/20 0.52
GLA P06280 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MEN1 O00255 1/20 0.51

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
SCHEMBL11903396 0.93 ALDH1A1 (0.64) ALDH1A1PTPN1SCD5MAPTHPGD
SCHEMBL12243261 0.83 S1PR1 (0.56) SCD5S1PR1SCDS1PR3NPC1
SCHEMBL4020118 0.78 ALDH1A1 (0.60) ALDH1A1PTPN1SCD5MAPTHPGD
SCHEMBL12243237 0.77 S1PR1 (0.50) ALDH1A1SCD5MAPTS1PR1SCD
SCHEMBL72786 0.75 ALDH1A1 (1.00) ALDH1A1PTPN1MAPTHPGDRECQL
SCHEMBL2353237 0.75 S1PR1 (0.48) ALDH1A1SCD5MAPTS1PR1SCD
SCHEMBL71299 0.74 ALDH1A1 (1.00) ALDH1A1PTPN1MAPTHPGDRECQL
SCHEMBL891863 0.73 S1PR3 (0.65) ALDH1A1MAPTS1PR1S1PR3KMT2A
SCHEMBL1178695 0.73 ALDH1A1 (0.72) ALDH1A1PTPN1MAPTHPGDRECQL
SCHEMBL892967 0.73 CDH1 (0.82) ALDH1A1PTPN1MAPTHPGDRECQL

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-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 ALDH1A1 1426/4885PTPN1 2039/4885SCD5 3893/4885

“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.