SCHEMBL5403530

SCHEMBL5403530

CC1(C)CCC(C)(C)c2cc(OCCOc3ccc(C=O)cc3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.59
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 6/20 0.45
CYP26A1 O43174 6/20 0.45
CYP26B1 Q9NR63 3/20 0.45
RXRA P19793 3/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
RARB P10826 4/20 0.43
RARG P13631 4/20 0.43
RARA P10276 3/20 0.43

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
SCHEMBL8675711 0.86 PPARG (0.50) PPARGALDH1A1MAPTHPGDLMNA
SCHEMBL7716690 0.83 RXRA (0.61) PPARGALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL6821688 0.81 PPARG (0.61) PPARGALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL5414218 0.79 PPARG (0.58) PPARGALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL3838099 0.79 RARB (0.57) ALDH1A1LMNASMN1; SMN2CYP3A4CYP26A1
SCHEMBL5860140 0.78 PPARG (0.56) PPARGALDH1A1MAPTCYP3A4CYP26A1
SCHEMBL851166 0.77 ALDH1A1 (0.66) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL9484730 0.76 RARB (0.62) ALDH1A1LMNASMN1; SMN2CYP3A4CYP26A1
SCHEMBL5404293 0.74 PPARG (1.00) PPARGCYP3A4CYP26A1CYP26B1RXRA
SCHEMBL5861367 0.74 PPARG (0.51) PPARGCYP3A4CYP26A1CYP26B1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142427-A1 Noncyclic 1,3-Dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2007-06-21 US disclosed
US-20070142427-A1 Noncyclic 1,3-Dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2007-06-21 US disclosed
US-20070142427-A1 Noncyclic 1,3-Dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2007-06-21 US disclosed
US-7192970-B2 Noncyclic 1,3-dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity CHIPSCREEN BIOSCIENCES, LTD. (CN) 2007-03-20 US disclosed
US-7192970-B2 Noncyclic 1,3-dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity CHIPSCREEN BIOSCIENCES, LTD. (CN) 2007-03-20 US disclosed
US-7192970-B2 Noncyclic 1,3-dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity CHIPSCREEN BIOSCIENCES, LTD. (CN) 2007-03-20 US disclosed
US-20040138211-A1 Noncyclic 1,3-dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2004-07-15 US disclosed
WO-2004048338-A1 NONCYCLIC 1,3-DICARBONYL COMPOUNDS AS DUAL PPAR AGONISTS WITH POTENT ANTIHYPERGLYCEMIC AND ANTIHYPERLIPIDEMIC ACTIVITY SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (US) 2004-06-10 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-20070142427-A1 Noncyclic 1,3-Dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity GPR119, PPARG, PPARA PPARG 2/4885ALDH1A1 3570/4885MAPT 4832/4885
US-20040138211-A1 Noncyclic 1,3-dicarbonyl compounds as dual PPAR agonists with potent antihyperglycemic and antihyperlipidemic activity PPARG, GPR119, PPARA PPARG 1/4885ALDH1A1 3236/4885MAPT 4836/4885

“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.