SCHEMBL3508435

SCHEMBL3508435

COc1cc(CC(=O)O)cc(Oc2cccc(OC/C=C/c3ccc(C(F)(F)F)cc3)c2)c1.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
PSEN1 P49768 1/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
LMNA P02545 1/20 0.40
PPARD Q03181 4/20 0.40
PPARA Q07869 3/20 0.40
MAOB P27338 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
EPOR P19235 1/20 0.39
THRB P10828 2/20 0.38
THRA P10827 1/20 0.38

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
SCHEMBL3508438 1.00 PPARG (0.44) PPARGPTGESALOX5PSEN1LTB4R
SCHEMBL14051593 0.99 PPARG (0.45) PPARGPTGESALOX5PSEN1LTB4R
SCHEMBL3506356 0.91 PPARG (0.45) PPARGPTGESALOX5PSEN1LTB4R
SCHEMBL3506351 0.91 PPARG (0.45) PPARGPTGESALOX5PSEN1LTB4R
SCHEMBL3508436 0.91 PPARG (0.42) PPARGPTGESALOX5PSEN1LTB4R
SCHEMBL3508860 0.90 LTB4R (0.46) PPARGPTGESALOX5PSEN1LTB4R
SCHEMBL3511620 0.90 LTB4R (0.46) PPARGPTGESALOX5PSEN1LTB4R
SCHEMBL3508522 0.87 PPARG (0.49) PPARGPTGESALOX5PSEN1PPARD
SCHEMBL3508526 0.87 PPARG (0.49) PPARGPTGESALOX5PSEN1PPARD
SCHEMBL3506482 0.86 PPARG (0.44) PPARGPTGESALOX5PSEN1LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267778-A1 Diphenyl ether compound, process for producing the same, and use ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-21 US disclosed
EP-1661879-A1 DIPHENYL ETHER COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP 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-20100267778-A1 Diphenyl ether compound, process for producing the same, and use PPARG, PPARD, PPARA PPARG 1/4885PTGES 218/4885ALOX5 884/4885

“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.