SCHEMBL1786267

SCHEMBL1786267

CC(=O)OCc1c(F)c(F)c(C)c(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CA2 P00918 1/20 0.42
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 1/20 0.41
IMPDH2 P12268 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
TAS1R3 Q7RTX0 4/20 0.34
TAS1R1 Q7RTX1 4/20 0.34
TAS1R2 Q8TE23 4/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL22758888 0.90 CA2 (0.41) MEN1KMT2ATDP1CA2ALDH1A1
SCHEMBL44341 0.89 CA2 (0.46) MEN1KMT2ATDP1CA2ALDH1A1
SCHEMBL1785282 0.83 CA2 (0.42) MEN1KMT2ATDP1CA2ALDH1A1
SCHEMBL22160484 0.83 CA2 (0.42) MEN1KMT2ATDP1CA2ALDH1A1
SCHEMBL9785523 0.82 CA2 (0.41) MEN1KMT2ATDP1CA2ALDH1A1
SCHEMBL26363015 0.81 TSHR (0.40) MEN1KMT2ATDP1ALDH1A1IMPDH2
SCHEMBL9685052 0.80 ALDH1A1 (0.50) MEN1KMT2ACA2ALDH1A1HSD17B10
SCHEMBL4168639 0.80 ALDH1A1 (0.50) MEN1KMT2ACA2ALDH1A1HSD17B10
Alcohol SCHEMBL22129229 0.79 CA2 (0.39) TDP1CA2ALDH1A1HSD17B10LMNA
SCHEMBL18470685 0.78 TSHR (0.38) MEN1KMT2ATDP1ALDH1A1IMPDH2

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 7 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 claimed
US-20110124923-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-26 US claimed
EP-1975147-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-10-01 EP claimed
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
JP-2007191472-A 4-ALKOXYMETHYL-2,3,5,6-TETRAFLUOROTOLUENE, METHOD FOR PRODUCING THE SAME AND UTILIZATION THEREOF SUMITOMO CHEMICAL CO LTD 2007-08-02 JP 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 MEN1 621/4885KMT2A 2201/4885TDP1 3206/4885
US-20110124923-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF ADH1C, ADH1A, CYP2E1 MEN1 636/4885KMT2A 1811/4885TDP1 3076/4885

“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.