SCHEMBL3271256

SCHEMBL3271256

Oc1ccc(OC(F)(F)CF)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.41
LTA4H P09960 3/20 0.37
NR1H2 P55055 1/20 0.37
BAX Q07812 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL6466370 0.89 MAPT (0.34) MEN1KMT2ALMNASLC6A2SLC6A3
SCHEMBL8768624 0.83 MEN1 (0.36) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL8768568 0.79 ESR2 (0.39) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL9586800 0.78 TDP1 (0.42) KDM4EAPP
SCHEMBL17099758 0.78 CA2 (0.45)
SCHEMBL2970013 0.77 TSHR (0.38) LTA4HCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL9586685 0.77 MAOB (0.43) MEN1KMT2AAPP
SCHEMBL221511 0.77 MAPT (0.52) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL7561242 0.76 MEN1 (0.37) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL6640496 0.75 ALDH1A1 (0.34) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2195290-B1 HALOGEN ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-03-11 EP disclosed
US-8435549-B2 Halogen alkoxy spirocyclic tetramic and tetronic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-05-07 US disclosed
US-20100279873-A1 Halogen Alkoxy Spirocyclic Tetramic and Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-11-04 US disclosed
EP-2195290-A1 HALOGEN ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACID DERIVATIVES Bayer CropScience AG (DE) 2010-06-16 EP disclosed
US-7524882-B2 PPAR alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-04-28 US disclosed
WO-2009039975-A1 HALOGEN ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-04-02 WO disclosed
EP-1539136-B1 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2008-07-09 EP disclosed
EP-1539136-A4 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2006-10-18 EP disclosed
US-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK SHARP & DOHME CORP. 2005-10-13 US disclosed
EP-1539136-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004010936-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO., INC. (US) 2004-02-05 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 (2 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-20100279873-A1 Halogen Alkoxy Spirocyclic Tetramic and Tetronic Acid Derivatives KCNA5, KCNH1, KCNQ5 ESR1 3712/4885ESR2 4294/4885MEN1 4122/4885
US-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders PPARD, PPARA, PPARG ESR1 925/4885ESR2 234/4885MEN1 4817/4885

“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.