SCHEMBL497772

SCHEMBL497772

FC(F)(F)C(F)(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
NR1I2 O75469 1/20 0.36
RORC P51449 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KIF11 P52732 4/20 0.35
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
NR1H2 P55055 4/20 0.35
NR1H3 Q13133 4/20 0.35
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
MGLL Q99685 1/20 0.33
AR P10275 1/20 0.32
PDE2A O00408 1/20 0.32

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
SCHEMBL297801 0.85 KIF11 (0.54) ALDH1A1TSHRKIF11TAAR1GAA
SCHEMBL22381989 0.85 TSHR (0.50) ALDH1A1TSHRKIF11MAPTHSD17B10
SCHEMBL5354856 0.85 TRPV1 (0.38) ESR1ESR2CES2CES1NR1I2
SCHEMBL1024574 0.85 ESR1 (0.64) ESR1ESR2ALDH1A1TSHRKIF11
SCHEMBL5350641 0.85 CYP19A1 (0.45) CES2CES1TSHR
SCHEMBL5362456 0.85 CA1 (0.46) ESR1ESR2CES2CES1NR1I2
SCHEMBL3236693 0.85 TSHR (0.50) CES2CES1ALDH1A1TSHRKIF11
SCHEMBL951559 0.83 TSHR (0.58) CES1ALDH1A1TSHRKIF11PGK1
SCHEMBL1251793 0.81 ESR1 (0.40) ESR1ESR2CES2CES1KIF11
SCHEMBL28819791 0.81 KIF11 (0.65) ALDH1A1TSHRKIF11TAAR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106222-B2 Fluorine-containing ether compound FUJIFILM CORPORATION (JP) 2012-01-31 US disclosed
US-20090018350-A1 NOVEL FLUORINE-CONTAINING ETHER COMPOUND FUJIFILM CORPORATION (JP) 2009-01-15 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-20090018350-A1 NOVEL FLUORINE-CONTAINING ETHER COMPOUND AFF4, AFF1, AFF2 ESR1 319/4885ESR2 193/4885CES2 897/4885

“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.