SCHEMBL4890126

SCHEMBL4890126

CCCCOc1c(C(C)C)cc(C(=O)C(=O)O)cc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.46
RXRA P19793 8/20 0.45
PPARG P37231 3/20 0.45
RARG P13631 1/20 0.45
RXRB P28702 3/20 0.44
RXRG P48443 3/20 0.44
RARA P10276 2/20 0.44
RARB P10826 2/20 0.44
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
PLA2G2A P14555 1/20 0.43
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
SRD5A2 P31213 1/20 0.39
PLA2G4B P0C869 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPBWR1 P48145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCHR1 Q99705 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
SCHEMBL4898263 0.94 PLA2G2A (0.51) GLRA1RXRARARBTHRATHRB
SCHEMBL4890148 0.84 ALDH1A1 (0.43) GLRA1RXRAPPARGRARGRXRB
SCHEMBL4892271 0.80 THRB (0.64) GLRA1RXRAPPARGRARGRXRB
SCHEMBL4898942 0.79 THRA (0.55) THRATHRBPLA2G2ATP53TSHR
SCHEMBL4888397 0.78 PLAU (0.53) THRATHRBPLA2G2ATP53TSHR
SCHEMBL4888400 0.77 GLRA1 (0.54) GLRA1THRATHRBSRD5A2ALDH1A1
SCHEMBL16864537 0.76 GLRA1 (0.66) GLRA1RXRAPPARGRARGRXRB
SCHEMBL4900698 0.75 THRA (0.46) GLRA1RXRATHRATHRBSRD5A2
SCHEMBL4898800 0.73 THRA (0.63) RARBTHRATHRBPLA2G2ATP53
SCHEMBL15680422 0.73 THRA (0.41) THRATHRBPLA2G2ATP53TSHR

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-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 US disclosed
EP-1729756-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2006-12-13 EP disclosed
WO-2005094810-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2005-10-13 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-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 GLRA1 926/4885RXRA 473/4885PPARG 109/4885

“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.