SCHEMBL2227681

SCHEMBL2227681

CP(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
MAPT P10636 1/20 0.41
IDO1 P14902 2/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
XPO1 O14980 2/20 0.34
ADRB1 P08588 1/20 0.33
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
IKBKB O14920 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
RXRG P48443 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
AR P10275 1/20 0.31

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
SCHEMBL17448589 0.82 CES2 (0.39) CES2MAPTIDO1RAPGEF4XPO1
SCHEMBL383565 0.78 CES2 (0.44) CES2MAPTIDO1RAPGEF4XPO1
SCHEMBL440959 0.76 CES2 (0.58) CES2MAPTIDO1RAPGEF4XPO1
SCHEMBL15329899 0.76 CES2 (0.42) CES2MAPTIDO1RAPGEF4XPO1
SCHEMBL16823330 0.76 CES2 (0.42) CES2MAPTIDO1RAPGEF4XPO1
SCHEMBL10271930 0.76 CES2 (0.42) CES2MAPTIDO1RAPGEF4XPO1
SCHEMBL16861287 0.76 CES2 (0.42) CES2MAPTIDO1RAPGEF4XPO1
SCHEMBL19998396 0.76 GABRA1 (0.48) MAPTRXRARXRBRXRGALDH1A1
SCHEMBL2550800 0.75 CES2 (0.38) CES2MAPTIDO1RAPGEF4XPO1
SCHEMBL2879502 0.74 CES2 (0.41) CES2MAPTIDO1RAPGEF4XPO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011089985-A1 COSMETIC COMPOSITION FOR KERATIN FIBERS L'OREAL (FR) 2011-07-28 WO disclosed
US-20100204514-A1 METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-08-12 US disclosed
WO-2007037995-A2 EXTRACTION AGENT AND METHOD FOR FORMING AN EXTRACTION AGENT FOR THE SEPARATION OF ACTINIDES FROM LANTHANIDES BATTELLE ENERGY ALLIANCE, LLC (US) 2007-04-05 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 (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-20100204514-A1 METHOD FOR THE PREPARATION OF AMINOPHOSPHINE LIGANDS AND THEIR USE IN METAL CATALYSTS PNISR, PRMT9, PRMT8 CES2 4435/4885MAPT 4425/4885IDO1 1892/4885

“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.