SCHEMBL4874761

SCHEMBL4874761

CCCCn1c(C)cc(C=O)c1C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.80
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 5/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
ADRA2A P08913 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9772272 0.87 ALDH1A1 (0.81) ALDH1A1POLBSMN1; SMN2LMNAMAPT
SCHEMBL14232240 0.81 ALDH1A1 (0.72) ALDH1A1POLBSMN1; SMN2LMNAMAPT
SCHEMBL10642418 0.77 ALDH1A1 (0.67) ALDH1A1POLBSMN1; SMN2LMNAMAPT
SCHEMBL9772293 0.77 ALDH1A1 (0.56) ALDH1A1POLBSMN1; SMN2LMNAKDM4E
SCHEMBL7038437 0.75 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2LMNAMAPT
SCHEMBL2558791 0.75 ALDH1A1 (0.63) ALDH1A1POLBSMN1; SMN2LMNAMAPT
SCHEMBL9772325 0.75 ALDH1A1 (0.61) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL9422551 0.72 ALDH1A1 (0.59) ALDH1A1POLBSMN1; SMN2LMNAKDM4E
SCHEMBL4882281 0.71 ALDH1A1 (0.44) ALDH1A1POLBLMNAMAPTKDM4E
SCHEMBL2558341 0.70 ALDH1A1 (0.57) ALDH1A1POLBSMN1; SMN2LMNAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080281105-A1 Novel Quinolinium Salts and Derivatives IMMUSOL INCORPORATED (US) 2008-11-13 US disclosed
CN-101106992-A Novel quinolinium salts and derivatives IMMUSOL INC (US) 2008-01-16 CN disclosed
EP-1841428-A1 NOVEL QUINOLINIUM SALTS AND DERIVATIVES Immusol Incorporated (US) 2007-10-10 EP disclosed
WO-2006078754-A1 NOVEL QUINOLINIUM SALTS AND DERIVATIVES IMMUSOL INCORPORATED (US) 2006-07-27 WO 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-20080281105-A1 Novel Quinolinium Salts and Derivatives NQO2, MCL1, KRAS ALDH1A1 3206/4885POLB 1589/4885SMN1; SMN2 4426/4885

“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.