SCHEMBL9996641

SCHEMBL9996641

[C]#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
IDO1 P14902 2/20 0.37
ADRB1 P08588 1/20 0.33
MAPT P10636 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
KIF11 P52732 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
RPS6KA3 P51812 1/20 0.32
JAK3 P52333 1/20 0.32
AR P10275 1/20 0.31
XPO1 O14980 1/20 0.31
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL16952351 0.86 RXRA (0.33) CES2RXRARXRBRXRG
SCHEMBL16959975 0.84 RAPGEF4 (0.38) CES2RAPGEF4ALDH1A1TSHRCYP3A4
SCHEMBL6227551 0.78 CES2 (0.44) CES2IDO1ADRB1MAPTRAPGEF4
SCHEMBL1858907 0.77 TSHR (0.48) CES2IDO1ALDH1A1TSHR
SCHEMBL440959 0.76 CES2 (0.58) CES2IDO1ADRB1MAPTRAPGEF4
SCHEMBL1041507 0.74 KIF11 (0.52) CES2IDO1KIF11ALDH1A1TSHR
SCHEMBL1334073 0.74 KIF11 (0.52) CES2IDO1ADRB1RXRARXRG
SCHEMBL728390 0.74 CES2 (0.46) CES2IDO1ADRB1MAPTRXRA
SCHEMBL313640 0.74 ADRA2B (0.44) CES2IDO1ADRB1MAPTRAPGEF4
SCHEMBL16958401 0.74 CES2 (0.41) CES2IDO1ADRB1MAPTRAPGEF4

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8895565-B2 Heterocyclic compound and use of the same NISHIO TETSUYA (JP) 2014-11-25 US disclosed
US-20110319618-A1 HETEROCYCLIC COMPOUND AND USE OF THE SAME NISHIO TETSUYA (JP) 2011-12-29 US 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-20110319618-A1 HETEROCYCLIC COMPOUND AND USE OF THE SAME CYP2D6, CYP2B6, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CES2 128/4885IDO1 4364/4885ADRB1 1277/4885

“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.