SCHEMBL6401236

SCHEMBL6401236

CCCc1c(NCC)ccc(C(C)=O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
GRM2 Q14416 2/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
BLM P54132 1/20 0.45
CYSLTR2 Q9NS75 15/20 0.44
CYSLTR1 Q9Y271 15/20 0.44
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX5 P09917 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 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
SCHEMBL481043 0.86 PPARG (0.45) PPARGPPARDPPARAGRM2LMNA
SCHEMBL481237 0.80 GRM2 (0.50) PPARGPPARDPPARAGRM2LMNA
SCHEMBL480388 0.80 CYP1A2 (0.50) PPARGPPARDPPARAGRM2LMNA
SCHEMBL30736074 0.80 CYP1A2 (0.50) PPARGPPARDPPARAGRM2LMNA
SCHEMBL6932259 0.78 PPARG (0.48) PPARGPPARDPPARAGRM2LMNA
SCHEMBL13452821 0.78 PPARG (0.48) PPARGPPARDPPARAGRM2LMNA
SCHEMBL481392 0.77 PPARG (0.47) PPARGPPARDPPARAGRM2LMNA
SCHEMBL10507276 0.77 GRM2 (0.43) PPARGPPARDPPARAGRM2LMNA
SCHEMBL7041417 0.75 CYP1A2 (0.47) PPARGPPARDPPARAGRM2LMNA
SCHEMBL9177662 0.75 CYSLTR2 (0.50) PPARGPPARDPPARAGRM2LMNA

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-20050054629-A1 Compounds and methods of treating cell proliferative diseases EXONHIT THERAPEUTICS SA (FR) 2005-03-10 US disclosed
EP-1480966-A1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES Exonhit Therapeutics S.A. (FR) 2004-12-01 EP disclosed
WO-2003074508-A1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES EXONHIT THERAPEUTICS SA (FR) 2003-09-12 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-20050054629-A1 Compounds and methods of treating cell proliferative diseases MKI67, CCNC, PCNA PPARG 218/4885PPARD 716/4885PPARA 262/4885

“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.