SCHEMBL1777231

SCHEMBL1777231

COC(=O)COc1ccc(OCC#Cc2cc(Br)cc(C#CCN3CCOCC3)c2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.50
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.42
HBB P68871 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ADAM17 P78536 2/20 0.40
P2RY12 Q9H244 2/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
FKBP1A P62942 1/20 0.38
POLB P06746 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37

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
SCHEMBL1775862 0.91 PPARD (0.59) PPARDKDM4EALDH1A1TDP1MAPK1
SCHEMBL1777586 0.91 ALDH1A1 (0.46) PPARDKDM4EALDH1A1TDP1MAPK1
SCHEMBL1777987 0.91 PPARD (0.46) PPARDKDM4EALDH1A1TDP1PPARG
SCHEMBL1776495 0.89 KDM4E (0.52) PPARDKDM4EALDH1A1TDP1MAPK1
SCHEMBL1779301 0.87 MMP2 (0.45) PPARDKDM4EALDH1A1TDP1PPARG
SCHEMBL1775831 0.87 PPARD (0.56) PPARDKDM4EALDH1A1TDP1PPARG
SCHEMBL1779432 0.87 KDM4E (0.50) PPARDKDM4EALDH1A1TDP1MAPK1
SCHEMBL1777593 0.85 PPARD (0.43) PPARDKDM4EALDH1A1PPARGPPARA
SCHEMBL1775961 0.83 PPARD (0.53) PPARDKDM4EALDH1A1TDP1PPARG
SCHEMBL1777082 0.82 PPARD (0.51) PPARDKDM4EALDH1A1PPARGPPARA

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 PPARD 1/4885KDM4E 3754/4885ALDH1A1 1075/4885

“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.