SCHEMBL1776495

SCHEMBL1776495

COC(=O)COc1ccc(OCC#Cc2cc(C#CCN3CCOCC3)cc(C#Cc3ccc(Cl)cc3)c2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
PPARD Q03181 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
SLC6A4 P31645 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP13 P45452 1/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL1776492 0.92 KDM4E (0.56) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL1777987 0.92 PPARD (0.46) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL1779301 0.90 MMP2 (0.45) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL1775831 0.90 PPARD (0.56) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL1777231 0.89 PPARD (0.50) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL1779432 0.84 KDM4E (0.50) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL1775961 0.84 PPARD (0.53) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL1777984 0.82 PPARD (0.47) KDM4EALDH1A1PPARDPPARGPPARA
SCHEMBL1776443 0.82 PPARD (0.51) KDM4EALDH1A1TDP1PPARDPPARG
SCHEMBL1777106 0.82 PPARD (0.66) PPARDPPARGPPARA

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-7943612-B2 Compounds that modulate PPAR activity, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-05-17 US disclosed
US-20090048257-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC 2009-02-19 US disclosed
EP-1999098-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE High Point Pharmaceuticals, LLC (US) 2008-12-10 EP disclosed
WO-2007101864-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC (US) 2007-09-13 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 (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-20090048257-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE PPARD, PPARG, PPARA KDM4E 3754/4885ALDH1A1 1075/4885TDP1 4398/4885

“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.