SCHEMBL107751

SCHEMBL107751

FC(F)(F)c1ccc(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
CYP3A4 P08684 2/20 0.62
MAPK1 P28482 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
TP53 P04637 1/20 0.48
HSD11B1 P28845 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
KMO O15229 2/20 0.39
NOTUM Q6P988 2/20 0.39
TMPRSS4 Q9NRS4 2/20 0.39
DAO P14920 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38

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
SCHEMBL29403188 1.00 TSHR (0.62) TSHRCYP3A4MAPK1TDP1TP53
SCHEMBL5423724 0.91 TSHR (0.54) TSHRCYP3A4MAPK1TDP1TP53
SCHEMBL21995301 0.83 TSHR (0.60) TSHRCYP3A4MAPK1TDP1TP53
SCHEMBL3789153 0.82 CYP3A4 (0.52) TSHRCYP3A4MAPK1TDP1TP53
SCHEMBL16211981 0.81 TSHR (0.58) TSHRCYP3A4MAPK1TDP1TP53
SCHEMBL31740316 0.81 TSHR (0.58) TSHRCYP3A4MAPK1TDP1TP53
SCHEMBL29649700 0.80 IDO1 (0.50) TSHRCYP3A4MAPK1TDP1TP53
SCHEMBL987352 0.80 IDO1 (0.50) TSHRCYP3A4MAPK1TDP1TP53
SCHEMBL3789260 0.78 PDE2A (0.56) TSHRKMOTMPRSS4DAO
SCHEMBL30898355 0.78 KIF11 (0.48) TSHRCYP3A4MAPK1TDP1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117913360-A Battery electrolyte and application thereof 香河昆仑新能源材料股份有限公司 2024-04-19 CN claimed
CN-117800808-A Preparation method of 2, 4-dichloro fluorobenzene 帕潘纳(北京)科技有限公司 2024-04-02 CN claimed
CN-114539194-B Synthesis method of 2,2' -di (trifluoromethyl) -4,4', 5' -biphenyl dianhydride 常州市阳光药业有限公司 2024-03-29 CN claimed
CN-117747947-A Non-aqueous electrolyte of lithium ion battery and lithium ion battery 香河昆仑新能源材料股份有限公司 2024-03-22 CN claimed
CN-117747945-A Electrolyte containing siloxane compound and energy storage device containing electrolyte 香河昆仑新能源材料股份有限公司 2024-03-22 CN claimed
CN-117728029-A Electrolyte containing silasulfane compound and energy storage device containing electrolyte 香河昆仑新能源材料股份有限公司 2024-03-19 CN claimed
CN-114105726-B Preparation method of 2, 4-dichloro benzotrifluoride 江苏三美化工有限公司 2024-01-19 CN claimed
CN-117175010-A Electrolyte additive containing phosphorus and boron elements, electrolyte and application thereof 香河昆仑新能源材料股份有限公司 2023-12-05 CN claimed
CN-117133982-A Nonaqueous electrolyte and secondary battery 香河昆仑新能源材料股份有限公司 2023-11-28 CN claimed
CN-117133981-A Nonaqueous electrolyte and secondary battery 香河昆仑新能源材料股份有限公司 2023-11-28 CN claimed
US-7598413-B2 Process for producing fluorine-containing alkylsulfonylaminoethyl α-substituted acrylate CENTRAL GLASS COMPANY, LIMITED (JP) 2009-10-06 US claimed
US-20090069595-A1 Process for Producing Fluorine-Containing Alkylsulfonylaminoethyl Alpha-Substituted Acrylate CENTRAL GLASS COMPANY, LIMITED (JP) 2009-03-12 US claimed
EP-1502908-B1 Process for fluorurating ethers MITENI SPA (IT) 2007-09-12 EP claimed
EP-1502908-A1 Process for fluorurating ethers MITENI S.p.A. (IT) 2005-02-02 EP claimed
US-20020022748-A1 Process for purifying 1,1,1,5,5,5-hexafluoroacetylacetone CENTRAL GLASS COMPANY, LIMITED (JP) 2002-02-21 US claimed
EP-0872468-B1 Method for producing 3,3-dichloro-1,1,1-trifluoroacetone CENTRAL GLASS CO LTD (JP) 2001-07-25 EP claimed
US-5976702-A ORGANOSILICON COMPOUNDS ASAHI GLASS COMPANY LTD. (JP) 1999-11-02 US claimed
US-5905174-A FLUORINATING PENTACHLOROACETONE WITH HYDROGEN FLUORIDE IN THE PRESENCE OF A CATALYST CENTRAL GLASS COMPANY, LIMITED (JP) 1999-05-18 US claimed
EP-0872468-A1 Method for producing 3,3-dichloro-1,1,1-trifluoroacetone Central Glass Company, Limited (JP) 1998-10-21 EP claimed
EP-0137424-A2 Process for producing 2,4-dichlorobenzotrifluoride ISHIHARA SANGYO KAISHA, LTD. (JP) 1985-04-17 EP claimed

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-20020022748-A1 Process for purifying 1,1,1,5,5,5-hexafluoroacetylacetone HDHD5, HK1, ADH1C TSHR 4325/4885CYP3A4 2637/4885MAPK1 544/4885
US-20090069595-A1 Process for Producing Fluorine-Containing Alkylsulfonylaminoethyl Alpha-Substituted Acrylate AFF1, AFF2, AFF4 TSHR 157/4885CYP3A4 2065/4885MAPK1 612/4885

“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.