SCHEMBL4900698

SCHEMBL4900698

CC(C)c1cc(C(=O)C(=O)O)cc(C(C)C)c1OCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
GLRA1 P23415 2/20 0.43
PARP10 Q53GL7 4/20 0.41
PARP15 Q460N3 3/20 0.41
FFAR1 O14842 1/20 0.39
GCK P35557 1/20 0.39
RHEB Q15382 1/20 0.38
HMGCR P04035 1/20 0.38
SRD5A2 P31213 1/20 0.38
MMP3 P08254 1/20 0.36
RXRA P19793 1/20 0.36
XDH P47989 1/20 0.36

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 0.72 PLA2G2A (0.51) THRATHRBGLRA1RXRA
SCHEMBL4888400 0.70 GLRA1 (0.54) THRATHRBGLRA1PARP10FFAR1
SCHEMBL24499213 0.70 PARP10 (0.36) THRATHRBPARP10PARP15
SCHEMBL711186 0.68 GCK (0.67) PARP10PARP15FFAR1GCKXDH
SCHEMBL8194213 0.68 THRA (0.62) THRATHRBPARP10PARP15FFAR1
SCHEMBL6720844 0.68 THRA (0.51) THRATHRBPARP10PARP15RHEB
SCHEMBL30261449 0.67 SCN9A (0.49) PARP10PARP15
SCHEMBL4890148 0.67 ALDH1A1 (0.43) THRATHRBGLRA1RXRA
SCHEMBL4898911 0.66 GLRA1 (0.58) THRATHRBGLRA1PARP10PARP15
SCHEMBL4899367 0.66 THRB (0.71) THRATHRBPARP10PARP15FFAR1

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 THRA 559/4885THRB 792/4885GLRA1 926/4885

“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.