SCHEMBL4881337

SCHEMBL4881337

Cc1c(C=O)c(C=O)c(C)n1CCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
LMNA P02545 4/20 0.69
NPSR1 Q6W5P4 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL4878034 0.94 ALDH1A1 (0.61) ALDH1A1LMNANPSR1SMN1; SMN2MAPT
SCHEMBL5320050 0.77 ALDH1A1 (0.61) ALDH1A1LMNANPSR1SMN1; SMN2MAPT
SCHEMBL4885182 0.76 ALDH1A1 (0.44) ALDH1A1LMNANPSR1SMN1; SMN2MAPT
SCHEMBL31570784 0.75 LMNA (0.78) ALDH1A1LMNANPSR1SMN1; SMN2MEN1
SCHEMBL10624841 0.73 LMNA (0.79) ALDH1A1LMNANPSR1SMN1; SMN2MEN1
SCHEMBL31570785 0.73 MEN1 (0.62) ALDH1A1LMNANPSR1SMN1; SMN2MAPT
SCHEMBL4879015 0.72 MAPT (0.49) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL8684821 0.72 CCR2 (0.46) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL16637671 0.70 ADORA2B (0.48) ALDH1A1LMNANPSR1SMN1; SMN2MAPT
SCHEMBL2561805 0.70 KMT2A (0.54) ALDH1A1LMNANPSR1SMN1; SMN2MAPT

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 3206/4885LMNA 3339/4885NPSR1 3384/4885

“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.