SCHEMBL5486986

SCHEMBL5486986

C#CCCSc1ccc(OCC(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.40
PPARA Q07869 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
VDR P11473 2/20 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
SCHEMBL5484927 0.88 PPARD (0.42) PPARDPPARAKDM4EMEN1ALDH1A1
SCHEMBL1549625 0.82 VDR (0.45) PPARDKDM4EMEN1ALDH1A1HPGD
SCHEMBL5488435 0.80 PPARD (0.49) PPARDPPARA
SCHEMBL1550080 0.79 KDM4E (0.42) PPARDKDM4EMEN1ALDH1A1HPGD
SCHEMBL2873934 0.77 ESR1 (0.51) PPARDKDM4EMEN1ALDH1A1HPGD
SCHEMBL5483550 0.76 PPARD (0.53) PPARDPPARA
SCHEMBL12541603 0.76 MEN1 (0.52) KDM4EMEN1ALDH1A1HPGDTSHR
SCHEMBL5484788 0.75 PPARD (0.50) PPARDPPARA
SCHEMBL3016429 0.74 VDR (0.47) KDM4EMEN1ALDH1A1HPGDTSHR
SCHEMBL5489868 0.74 PPARD (0.47) PPARDPPARAKDM4EVDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253192-B2 Phenyl derivatives comprising an acetylene group HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1765760-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F.HOFFMANN-LA ROCHE AG (CH) 2007-03-28 EP disclosed
WO-2006002802-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004091-A1 Phenyl derivatives comprising an acetylene group F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 US 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-20060004091-A1 Phenyl derivatives comprising an acetylene group PPARD, PPARA, PPARG PPARD 1/4885PPARA 2/4885KDM4E 2614/4885

“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.