SCHEMBL172019

SCHEMBL172019

Cc1c(F)cc(F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 2/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL11415512 0.87 HDAC1 (0.37) CA1CA2CA4CA12CA7
SCHEMBL14327159 0.81 CES2 (0.38) CA1CA2CA4CA12CA7
SCHEMBL169896 0.80 CA1 (0.38) CA1CA2CA4CA12CA7
SCHEMBL30754183 0.79 RAPGEF4 (0.37) RAPGEF4CES2CES1
SCHEMBL6299270 0.79 RAPGEF4 (0.37) RAPGEF4CES2CES1
SCHEMBL5391101 0.79 ACHE (0.33) HDAC1HDAC6RAPGEF4
SCHEMBL6063957 0.78
SCHEMBL24465865 0.77 ALDH1A1 (0.33) CA1CA2CA12CA7CA13
SCHEMBL12218607 0.77 CA1 (0.32) CA1CA2CA4CA12CA7
SCHEMBL17359287 0.76 VRK1 (0.33) RAPGEF4CES2CES1

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 177 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163294-A Preparation method of 2-bromo-5-fluorobenzotrifluoride 阜新宇泽化工有限公司 2022-03-11 CN claimed
CN-112979688-B Preparation method of 2-fluoro-4-trifluoromethylphenylboronic acid 凯莱英医药集团(天津)股份有限公司 2022-02-01 CN claimed
CN-113773204-A Preparation method of fluoroaniline 上海万溯药业有限公司 2021-12-10 CN claimed
CN-213527738-U Filter for m-fluoro benzotrifluoride 江苏永创医药科技股份有限公司 2021-06-25 CN claimed
CN-213527671-U Wastewater treatment device for m-fluoro benzotrifluoride 江苏永创医药科技股份有限公司 2021-06-25 CN claimed
CN-213527479-U Rectifying still for m-fluoro benzotrifluoride 江苏永创医药科技股份有限公司 2021-06-25 CN claimed
CN-213528612-U Reation kettle for m-fluoro benzotrifluoride 江苏永创医药科技股份有限公司 2021-06-25 CN claimed
CN-112979688-A Preparation method of 2-fluoro-4-trifluoromethylphenylboronic acid 凯莱英医药集团(天津)股份有限公司 2021-06-18 CN claimed
CN-103996872-A Lithium ion battery non-aqueous electrolyte with functions of overcharging prevention and flame retardancy ZHUHAI SMOOTHWAY ELECTRONIC MATERIALS CO LTD 2014-08-20 CN claimed
US-20120130118-A1 METHODS FOR PRODUCING AND USING A TETRAFLUOROTOLUENE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-24 US claimed
US-7998623-B2 Electrolyte for lithium ion secondary battery and lithium ion secondary battery including the same SAMSUNG SDI CO., LTD. (KR) 2011-08-16 US claimed
US-20110124923-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-26 US claimed
US-7695801-B2 Optical systems and refractive index-matching compositions AVAGO TECHNOLOGIES FIBER IP (SINGAPORE) PTE. LTD. (SG) 2010-04-13 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-20060078792-A1 Electrolyte for lithium ion secondary battery and lithium ion secondary battery including the same SAMSUNG SDI CO., LTD. (KR) 2006-04-13 US claimed
US-20050170146-A1 Optical systems and refractive index-matching compositions AVAGO TECHNOLOGIES GENERAL IP (SINGAPORE) PTE. LTD. (SG) 2005-08-04 US claimed
US-6890619-B2 Optical systems and refractive index-matching compositions AGILENT TECHNOLOGIES, INC. (US) 2005-05-10 US claimed
US-20030091266-A1 Optical systems and refractive index-matching compositions AVAGO TECHNOLOGIES GENERAL IP (SINGAPORE) PTE. LTD. (SG) 2003-05-15 US claimed
EP-3306732-B1 NONAQUEOUS ELECTROLYTE SOLUTION FOR BATTERIES AND LITHIUM SECONDARY BATTERY MITSUI CHEMICALS INC (JP) 2025-06-25 EP disclosed
US-4038276-A PROCESS FOR THE PRODUCTION OF FINELY DIVIDED SOLID CYANURIC CHLORIDE DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-07-26 US 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 CA1 327/4885CA2 2523/4885CA4 970/4885
US-20110124923-A1 TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF ADH1C, ADH1A, CYP2E1 CA1 404/4885CA2 2844/4885CA4 1467/4885

“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.