SCHEMBL1785282

SCHEMBL1785282

COCc1c(F)c(F)c(COC(C)=O)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
ALDH1A1 P00352 7/20 0.39
HSD17B10 Q99714 2/20 0.36
LMNA P02545 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
TDP1 Q9NUW8 3/20 0.34
CYP3A4 P08684 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
IGF1R P08069 1/20 0.31
SRC P12931 1/20 0.31
AXL P30530 1/20 0.31
PTK2 Q05397 1/20 0.31
AURKB Q96GD4 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
Alcohol SCHEMBL22129229 0.94 CA2 (0.39) CA2ALDH1A1HSD17B10LMNAMMP1
SCHEMBL44341 0.89 CA2 (0.46) CA2ALDH1A1HSD17B10LMNAMMP1
SCHEMBL22129223 0.83 MMP1 (0.36) ALDH1A1LMNAMMP1MMP2MMP9
SCHEMBL22160484 0.83 CA2 (0.42) CA2ALDH1A1HSD17B10LMNAMMP1
SCHEMBL1786267 0.83 MEN1 (0.43) CA2ALDH1A1HSD17B10LMNAMMP1
SCHEMBL9785523 0.82 CA2 (0.41) CA2ALDH1A1HSD17B10LMNAMMP1
SCHEMBL22160485 0.80 CYP1A2 (0.36) ALDH1A1HSD17B10MMP1MMP2MMP9
SCHEMBL7107814 0.79 IGF1R (0.31) IGF1RSRCAXLPTK2AURKB
SCHEMBL22758888 0.78 CA2 (0.41) CA2ALDH1A1HSD17B10LMNAMMP1
Acetic Acid SCHEMBL22129233 0.78 PRKCE (0.36) ALDH1A1TDP1IGF1RSRCAXL

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-10745334-B2 Method for synthesizing 2,3,5,6-tetrafluoro-4-methoxymethyl benzyl alcohol ZHEJIANG ZHONGXIN FLUORIDE MAT CO LTD (CN) 2020-08-18 US disclosed
US-20200207693-A1 METHOD FOR SYNTHESIZING 2,3,5,6-TETRAFLUORO-4-METHOXYMETHYL BENZYL ALCOHOL ZHEJIANG ZHONGXIN FLUORIDE MAT CO LTD (CN) 2020-07-02 US disclosed
WO-2020124727-A1 SYNTHESIS METHOD FOR 2,3,5,6-TETRAFLUORO-4-METHOXYMETHYL BENZYL ALCOHOL 浙江中欣氟材股份有限公司 2020-06-25 WO disclosed
CN-109438234-B Synthetic method of 2,3,5, 6-tetrafluoro-4-methoxymethyl benzyl alcohol 浙江中欣氟材股份有限公司 2020-04-21 CN disclosed
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 (4 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 CA2 2523/4885ALDH1A1 12/4885HSD17B10 47/4885
US-10745334-B2 Method for synthesizing 2,3,5,6-tetrafluoro-4-methoxymethyl benzyl alcohol TET2, TH, ALKBH2 CA2 1199/4885ALDH1A1 362/4885HSD17B10 597/4885
US-20200207693-A1 METHOD FOR SYNTHESIZING 2,3,5,6-TETRAFLUORO-4-METHOXYMETHYL BENZYL ALCOHOL TH, ALKBH2, ALKBH3 CA2 1650/4885ALDH1A1 345/4885HSD17B10 512/4885
US-20110124923-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF ADH1C, ADH1A, CYP2E1 CA2 2844/4885ALDH1A1 12/4885HSD17B10 93/4885

“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.