SCHEMBL4883180

SCHEMBL4883180

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
RGS4 P49798 6/20 0.37
RGS8 P57771 4/20 0.35
GSK3B P49841 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4882281 0.71 ALDH1A1 (0.44) ALDH1A1RGS4RGS8GSK3BPOLB
SCHEMBL4874761 0.68 ALDH1A1 (0.80) ALDH1A1POLBTDP1L3MBTL1KDM4E
SCHEMBL27660999 0.60 ALDH1A1 (0.40) ALDH1A1POLBTDP1L3MBTL1TSHR
SCHEMBL838929 0.60 RGS4 (0.58) RGS4RGS8GSK3BTDP1L3MBTL1
SCHEMBL7038437 0.59 ALDH1A1 (0.46) ALDH1A1POLBTSHRKDM4EMEN1
SCHEMBL8434025 0.59 PTGS2 (0.48) RGS4RGS8GSK3BTDP1L3MBTL1
SCHEMBL24031478 0.56 RGS4 (0.54) RGS4RGS8GSK3BTDP1L3MBTL1
SCHEMBL4883169 0.56 TSHR (0.50) ALDH1A1RGS4RGS8POLBTDP1
SCHEMBL7806764 0.55 TSHR (0.40) ALDH1A1RGS4POLBTDP1L3MBTL1
SCHEMBL9473364 0.55 MAPT (0.47) ALDH1A1RGS4RGS8GSK3BTDP1

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 3206/4885RGS4 691/4885RGS8 960/4885

“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.