SCHEMBL5524809

SCHEMBL5524809

O=C(c1ccc2c(c1)CCO2)N1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.71
TSHR P16473 2/20 0.71
RECQL P46063 1/20 0.71
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
ALDH1A1 P00352 4/20 0.60
GPR183 P32249 3/20 0.59
HSD17B10 Q99714 1/20 0.55
CHRNA7 P36544 1/20 0.54
PRKCI P41743 1/20 0.53
CNR1 P21554 1/20 0.50
GRIA3 P42263 1/20 0.50
GRIA4 P48058 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL13216391 0.88 HPGD (0.71) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL16178527 0.86 HPGD (0.59) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL244490 0.83 HPGD (1.00) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL5777660 0.81 PRKCI (0.54) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL16150932 0.80 FASN (0.60) HPGDTSHRRECQLALDH1A1GPR183
SCHEMBL5013037 0.79 MAOB (0.60) HPGDALDH1A1GPR183CHRNA7SMN1; SMN2
SCHEMBL11022359 0.77 PRKCI (0.66) TSHRALDH1A1GPR183PRKCI
SCHEMBL19876345 0.77 HPGD (0.47) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL244547 0.77 HPGD (1.00) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL13486221 0.77 HPGD (1.00) HPGDTSHRRECQLCYP1A2CYP3A4

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-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US claimed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US claimed
EP-1749003-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP claimed
EP-1748993-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP claimed
WO-2005116016-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 WO claimed
WO-2005116000-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 WO claimed
US-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
EP-1749003-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
EP-1748993-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
WO-2005116016-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 WO disclosed
WO-2005116000-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 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-20070203155-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD HPGD 604/4885TSHR 559/4885RECQL 3198/4885
US-20070244130-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD HPGD 604/4885TSHR 559/4885RECQL 3198/4885

“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.