SCHEMBL3451748

SCHEMBL3451748

NCCOc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
KDM4E B2RXH2 3/20 0.41
ESR1 P03372 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CES2 O00748 1/20 0.40
IDO1 P14902 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 1/20 0.39
S1PR1 P21453 3/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
HPGD P15428 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
SCHEMBL22809489 0.84 IDO1 (0.47) KDM4EESR1LMNAMAPTATM
SCHEMBL165552 0.83 ESR1 (0.57) KDM4EESR1LMNAMAPTATM
SCHEMBL2146473 0.81 S1PR4 (0.51) KDM4ES1PR1HTR2AHTR2C
SCHEMBL6900513 0.81 KDM4E (0.40) RXRARXRBRXRGKDM4EESR1
SCHEMBL15473186 0.81 PTGDR2 (0.52) RXRARXRBRXRGKDM4EESR1
SCHEMBL10086780 0.81 KDM4E (0.40) KDM4EESR1LMNAMAPTATM
SCHEMBL9306383 0.81 MRGPRX4 (0.56) MRGPRX4
Hydrochloric Acid SCHEMBL28350759 0.81 ESR1 (0.56) KDM4EESR1LMNAMAPTATM
SCHEMBL14850081 0.81 HTT (0.41) RXRARXRBRXRGKDM4ELMNA
SCHEMBL4008713 0.81 IDO1 (0.47) KDM4EESR1LMNAMAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820705-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-10-26 US disclosed
US-7820705-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-10-26 US disclosed
US-7820705-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-10-26 US disclosed
EP-1745027-A4 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-06-03 EP disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 US disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 US disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 US disclosed
EP-1745027-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM, LLC (BM) 2007-01-24 EP disclosed
WO-2005113519-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-01 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-20080114044-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD RXRA 9/4885RXRB 8/4885RXRG 4/4885

“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.