SCHEMBL4885182

SCHEMBL4885182

Cc1[c]c(C=O)c(C)n1CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
TAAR1 Q96RJ0 2/20 0.44
TSHR P16473 2/20 0.43
NPY1R P25929 1/20 0.41
HTT P42858 1/20 0.41
NPY2R P49146 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
S1PR4 O95977 1/20 0.38
MAPK1 P28482 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NOX4 Q9NPH5 1/20 0.37

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 0.76 ALDH1A1 (0.69) ALDH1A1LMNANPSR1KDM4ESMN1; SMN2
SCHEMBL5320050 0.74 ALDH1A1 (0.61) ALDH1A1LMNANPSR1KDM4ESMN1; SMN2
SCHEMBL4878034 0.71 ALDH1A1 (0.61) ALDH1A1LMNANPSR1KDM4ESMN1; SMN2
SCHEMBL4879015 0.67 MAPT (0.49) ALDH1A1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL15998952 0.65 ALDH1A1 (0.74) ALDH1A1NPSR1KDM4ESMN1; SMN2MAPT
SCHEMBL14557080 0.64 L3MBTL1 (0.57) ALDH1A1LMNANPSR1KDM4ESMN1; SMN2
SCHEMBL4771735 0.64 BCHE (0.56) ALDH1A1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL8684821 0.64 CCR2 (0.46) ALDH1A1LMNAKDM4ESMN1; SMN2MAPT
Bromide SCHEMBL6010076 0.62 MAPT (0.46) ALDH1A1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL19538865 0.62 KMT2A (0.59) ALDH1A1KDM4ESMN1; SMN2MAPTTAAR1

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 3 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
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.