SCHEMBL1787544

SCHEMBL1787544

CCCCCCOCc1c(F)c(F)c(C)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
CES2 O00748 2/20 0.37
CES1 P23141 1/20 0.37
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
USP2 O75604 1/20 0.34
NR5A1 Q13285 1/20 0.34
NOS1 P29475 1/20 0.33
RECQL P46063 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.32
BLM P54132 1/20 0.32
TAS1R3 Q7RTX0 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
SCHEMBL1785464 0.92 TSHR (0.35) ALDH1A1HPGDTSHRTAS1R3TAS1R1
SCHEMBL1787296 0.84 HTT (0.46) HTTMEN1THRBKMT2AMAPT
SCHEMBL10457911 0.76
SCHEMBL1783369 0.76 TSHR (0.43) HTTMEN1THRBKMT2AMAPT
SCHEMBL12432991 0.73 NR5A1 (0.40) THRBNR5A1TSHR
SCHEMBL10141397 0.73 NR5A1 (0.40) THRBNR5A1TSHR
SCHEMBL10087737 0.73 NR5A1 (0.40) THRBNR5A1TSHR
SCHEMBL12452709 0.73 NR5A1 (0.40) THRBNR5A1TSHR
SCHEMBL12452693 0.73 NR5A1 (0.40) THRBNR5A1TSHR
SCHEMBL16687600 0.73 NR5A1 (0.40) THRBNR5A1TSHR

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
US-20120130118-A1 METHODS FOR PRODUCING AND USING A TETRAFLUOROTOLUENE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-24 US disclosed
US-20110124923-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-26 US disclosed
EP-1975147-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-10-01 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-20120130118-A1 METHODS FOR PRODUCING AND USING A TETRAFLUOROTOLUENE COMPOUND ADH1C, ADH1A, CYP2E1 HTT 1684/4885MEN1 621/4885THRB 1753/4885
US-20110124923-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF ADH1C, ADH1A, CYP2E1 HTT 1512/4885MEN1 636/4885THRB 1965/4885

“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.