SCHEMBL4882281

SCHEMBL4882281

CCCCn1c(C)c(C=O)c(C=O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RGS4 P49798 5/20 0.38
PTGS2 P35354 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RGS8 P57771 3/20 0.36
GSK3B P49841 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4874761 0.71 ALDH1A1 (0.80) ALDH1A1LMNANPSR1TDP1L3MBTL1
SCHEMBL4883180 0.71 ALDH1A1 (0.39) ALDH1A1RGS4TDP1L3MBTL1RGS8
SCHEMBL8434025 0.70 PTGS2 (0.48) RGS4PTGS2TDP1L3MBTL1RGS8
SCHEMBL8168111 0.69 PDE4A (0.42) ALDH1A1LMNARGS4TDP1L3MBTL1
SCHEMBL27660999 0.66 ALDH1A1 (0.40) ALDH1A1LMNATDP1L3MBTL1TSHR
SCHEMBL27875153 0.66 MAPT (0.46) ALDH1A1LMNANPSR1TDP1MEN1
SCHEMBL838929 0.66 RGS4 (0.58) RGS4TDP1L3MBTL1RGS8GSK3B
SCHEMBL10716857 0.62 HIF1A (0.43) ALDH1A1TDP1TSHRMAPT
SCHEMBL24031478 0.62 RGS4 (0.54) RGS4TDP1L3MBTL1RGS8GSK3B
SCHEMBL11448924 0.62 HSD11B1 (0.53) ALDH1A1LMNARGS4TDP1L3MBTL1

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.