SCHEMBL3269701

SCHEMBL3269701

CCOC(=O)C=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CASP3 P42574 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
CYP1A2 P05177 2/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
EPHX2 P34913 1/20 0.43
PPARG P37231 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL3520579 0.94 ESR1 (0.51) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL3520577 0.94 ESR1 (0.51) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL1746507 0.86 MMP2 (0.50) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL1746516 0.86 MMP2 (0.50) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL1746510 0.86 MMP2 (0.50) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL7345446 0.85 MAPT (0.48) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL26364967 0.85 MAPT (0.48) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL7345443 0.85 MAPT (0.48) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL20028730 0.83 MAPT (0.47) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL7565431 0.83 MAPT (0.47) MAPTKMT2AMEN1CASP3TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
EP-1558572-B1 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-30 EP disclosed
EP-2176247-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Amgen Inc. (US) 2010-04-21 EP disclosed
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. 2009-02-26 US disclosed
WO-2009009122-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR AMGEN INC. (US) 2009-01-15 WO disclosed
US-7129268-B2 Peroxisome proliferator activated receptor-active arylene acetic acid derivatives NOVO NORDISK A/S (DK) 2006-10-31 US disclosed
EP-1558572-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2005-08-03 EP disclosed
US-20050070583-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2005-03-31 US disclosed
WO-2004037776-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2004-05-06 WO disclosed
EP-0430129-A2 Novel phenylethylene derivatives, processes for preparing the same and intermediates therefor TANABE SEIYAKU CO., LTD. (JP) 1991-06-05 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 (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-20050070583-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA MAPT 3498/4885KMT2A 4570/4885MEN1 4820/4885
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 MAPT 1435/4885KMT2A 4672/4885MEN1 2770/4885

“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.