SCHEMBL4173702

SCHEMBL4173702

COC(=O)C(C)(C)Oc1ccc(O)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNN4 O15554 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
FBP1 P09467 4/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL198569 0.84 PPARA (0.51) CNR2ABCB11CYP1A2CYP3A4TSHR
SCHEMBL28974998 0.76 TRPA1 (0.38) HSD17B10LMNAESR1ESR2
SCHEMBL2908459 0.75 FBP1 (0.42) RAB9ATP53CNR1CNR2HSD17B10
SCHEMBL6222272 0.74 TSHR (0.39) RAB9ATP53KDM4EHSD17B10LMNA
SCHEMBL21281775 0.74 ELANE (0.47) LMNACYP3A4CA2
SCHEMBL2908470 0.73 CNR1 (0.36) RAB9ATP53CNR1CNR2KDM4E
SCHEMBL2473232 0.73 ALDH1A1 (0.42) RAB9ATP53CNR1CNR2KDM4E
Hydrochloric Acid SCHEMBL1068501 0.73 RAB9A (0.38) RAB9ATP53KDM4EHSD17B10LMNA
SCHEMBL13774930 0.72 CYP3A4 (0.42) RAB9ATP53CNR1CNR2KMT2A
SCHEMBL4514734 0.71 LATS1 (0.40) KDM4ELMNASMN1; SMN2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
EP-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
EP-1945633-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
WO-2007056497-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
WO-2007056497-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 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 (2 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-20080292608-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD RAB9A 3045/4885TP53 576/4885CNR1 291/4885
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD RAB9A 3045/4885TP53 576/4885CNR1 291/4885

“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.