SCHEMBL1245339

SCHEMBL1245339

CCC(Oc1ccc(SCC=C(c2ccc(C#CCN3CCCC3)cc2)c2ccc(C#CCN3CCCC3)cc2)cc1C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.44
PPARA Q07869 4/20 0.41
PPARG P37231 2/20 0.38
LMNA P02545 2/20 0.37
MMP13 P45452 1/20 0.34
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PSMB1 P20618 1/20 0.32
PSMB5 P28074 1/20 0.32
PSMB2 P49721 1/20 0.32

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
SCHEMBL1246265 0.93 PPARD (0.46) PPARDPPARAPPARGMMP13KDM4E
SCHEMBL1244159 0.92 PPARD (0.42) PPARDPPARAPPARGLMNASMN1; SMN2
SCHEMBL1244119 0.89 PPARD (0.41) PPARDPPARAPPARGLMNASMN1; SMN2
SCHEMBL1244089 0.86 PPARD (0.50) PPARDPPARAPPARGSMN1; SMN2PTGDR2
SCHEMBL1245291 0.85 PPARD (0.46) PPARDPPARAPPARGSMN1; SMN2PTGDR2
SCHEMBL1245307 0.85 PPARD (0.63) PPARDPPARAPPARGLMNA
SCHEMBL1244174 0.85 PPARD (0.42) PPARDPPARAPPARGLMNAMMP13
SCHEMBL1245381 0.84 PPARD (0.48) PPARDPPARAPPARGSMN1; SMN2PTGDR2
SCHEMBL1244055 0.82 PPARD (0.46) PPARDPPARAPPARGSMN1; SMN2PTGDR2
SCHEMBL1245883 0.80 PPARD (0.53) PPARDPPARAPPARGSMN1; SMN2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039841-A1 Novel compounds, their preparation and use NOVO NORDISK A/S (DK) 2011-02-17 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-20110039841-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA PPARD 2/4885PPARA 3/4885PPARG 1/4885

“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.