SCHEMBL5357660

SCHEMBL5357660

CC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.57
MAOB P27338 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PDK2 Q15119 1/20 0.39
MAOA P21397 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
CYP2A6 P11509 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36

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
SCHEMBL313169 0.85 KIF11 (0.75) KIF11MAOBHDAC6PDK2MAOA
SCHEMBL18290790 0.84 KIF11 (0.58) KIF11MAOBHDAC6PDK2CES2
SCHEMBL5360083 0.84 LMNA (0.47) KIF11HDAC6PDK2CES2CES1
SCHEMBL5359738 0.82 PARP1 (0.43) KIF11PDK2CES2CES1L3MBTL1
SCHEMBL5368194 0.82 KIF11 (0.45) KIF11MAOBHDAC6PDK2NPC1
SCHEMBL5355256 0.81 NOTUM (0.56) KIF11PDK2MAPTL3MBTL1ALDH1A1
SCHEMBL309029 0.78 KIF11 (0.49) KIF11MAOBCES2CES1NPC1
SCHEMBL5958738 0.77 PRKCI (0.45) KIF11HDAC6PDK2NPC1MAPT
SCHEMBL29669896 0.74 CES2 (0.67) KIF11MAOBMAOACES2CES1
SCHEMBL75801 0.74 CES2 (0.67) KIF11MAOBMAOACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169955-B2 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2007-01-30 US disclosed
US-20050113567-A1 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2005-05-26 US disclosed
US-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE NIHON NOHYAKU CO., LTD. (JP) 2003-10-02 US disclosed
EP-1253128-A1 PERFLUOROISOPROPYLBENZENE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2002-10-30 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-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE AFF1, CBR1, RER1 KIF11 2461/4885MAOB 1833/4885HDAC6 4041/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 KIF11 1652/4885MAOB 2099/4885HDAC6 3003/4885

“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.