SCHEMBL4878034

SCHEMBL4878034

Cc1c(C=O)c(C=O)c(C)n1CCc1ccccc1.Cc1ccc(C)n1CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
LMNA P02545 3/20 0.61
NPSR1 Q6W5P4 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
S1PR4 O95977 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4881337 0.94 ALDH1A1 (0.69) ALDH1A1LMNANPSR1SMN1; SMN2MAPT
SCHEMBL4879015 0.83 MAPT (0.49) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL5320050 0.75 ALDH1A1 (0.61) ALDH1A1LMNANPSR1SMN1; SMN2MAPT
SCHEMBL4885182 0.71 ALDH1A1 (0.44) ALDH1A1LMNANPSR1SMN1; SMN2MAPT
SCHEMBL31570784 0.70 LMNA (0.78) ALDH1A1LMNANPSR1SMN1; SMN2MEN1
SCHEMBL10624841 0.69 LMNA (0.79) ALDH1A1LMNANPSR1SMN1; SMN2KDM4E
SCHEMBL31570785 0.68 MEN1 (0.62) ALDH1A1LMNANPSR1SMN1; SMN2MAPT
SCHEMBL8684821 0.68 CCR2 (0.46) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL3206324 0.67 ALDH1A1 (0.59) ALDH1A1LMNANPSR1SMN1; SMN2MAPT
SCHEMBL16637671 0.66 ADORA2B (0.48) 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 1 patent. 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

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.