SCHEMBL5350677

SCHEMBL5350677

O=Cc1ccccc1C(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
BLM P54132 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
NFKB1 P19838 1/20 0.40
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERN1 O75460 2/20 0.36
TNF P01375 1/20 0.36
IL6 P05231 1/20 0.36
GAA P10253 1/20 0.35
CYP2A6 P11509 1/20 0.35
IMPDH2 P12268 1/20 0.35

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
SCHEMBL17103316 0.83 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL20344754 0.83 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL67207 0.82 NFKB1 (0.57) LMNAKMT2AMEN1THRBBLM
SCHEMBL29417728 0.82 NFKB1 (0.57) LMNAKMT2AMEN1THRBBLM
SCHEMBL26332568 0.79 MEN1 (0.46) LMNAKMT2AMEN1THRBBLM
SCHEMBL9814084 0.79 LMNA (0.46) LMNAKMT2AMEN1THRBBLM
SCHEMBL28796222 0.78 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL22620679 0.78 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL29558672 0.78 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL26889386 0.78 LMNA (0.50) LMNAKMT2AMEN1THRBBLM

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 LMNA 2317/4885KMT2A 2713/4885MEN1 3829/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 LMNA 2634/4885KMT2A 3659/4885MEN1 3547/4885

“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.