SCHEMBL716629

SCHEMBL716629

O=C(O)/C=C/c1ccc(F)cc1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.71
TDO2 P48775 1/20 0.57
CYP1A1 P04798 1/20 0.56
CYP1B1 Q16678 1/20 0.56
NFE2L2 Q16236 5/20 0.53
ALDH1A1 P00352 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
KCNH2 Q12809 2/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NFKB1 P19838 1/20 0.44
CA4 P22748 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44

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
SCHEMBL29407005 1.00 MIF (0.71) MIFTDO2CYP1A1CYP1B1NFE2L2
SCHEMBL716630 1.00 MIF (0.71) MIFTDO2CYP1A1CYP1B1NFE2L2
SCHEMBL1920415 1.00 MIF (0.71) MIFTDO2CYP1A1CYP1B1NFE2L2
Hydrochloric Acid SCHEMBL6822230 0.98 MIF (0.69) MIFTDO2CYP1A1CYP1B1NFE2L2
SCHEMBL29535211 0.86 TDO2 (0.58) MIFTDO2CYP1A1CYP1B1NFE2L2
SCHEMBL65190 0.86 TDO2 (0.58) MIFTDO2CYP1A1CYP1B1NFE2L2
SCHEMBL65191 0.86 TDO2 (0.58) MIFTDO2CYP1A1CYP1B1NFE2L2
SCHEMBL14086377 0.86 TDO2 (0.58) MIFTDO2CYP1A1CYP1B1NFE2L2
SCHEMBL3573369 0.86 CYP1A1 (0.58) MIFCYP1A1CYP1B1NFE2L2PTGS1
SCHEMBL3573370 0.86 CYP1A1 (0.58) MIFCYP1A1CYP1B1NFE2L2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 EP claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 WO claimed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
US-10072043-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-09-11 US claimed
EP-1429768-B1 NOVEL MEDICAMENTS FOR INHALATION BOEHRINGER INGELHEIM PHARMA (DE) 2016-11-16 EP claimed
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES Indiana University Research and Technology Corpora tion (US) 2016-06-23 US claimed
US-9217012-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-12-22 US claimed
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATI (US) 2012-04-12 US claimed
WO-2010118241-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2010-10-14 WO claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-20060000778-A1 high-performance membrane designed for the selective removal of a polar fluid (water) from less polar fluids (organic solvents), by a pervaporation using a composite membrane contaiing ultrafiltration membrane as support ( e.g. cellulose acetate) and a crosslinked copolymer of anionic, cationic monomers MCMASTER UNIVERSITY (CA) 2006-01-05 US claimed
US-20050256149-A1 Pharmaceutical compositions containing tiotropium salts and low-solubility salmeterol salts BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-11-17 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-6919325-B2 Respiratory system disorders; synergistic mixtures BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-07-19 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
US-20030130300-A1 Respiratory system disorders; synergistic mixtures BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-10 US 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 (7 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-10072043-B2 Inhibitors of protein tyrosine phosphatases PTPRCAP, PTPRF, PTPRS MIF 3696/4885TDO2 1024/4885CYP1A1 4021/4885
US-20050256149-A1 Pharmaceutical compositions containing tiotropium salts and low-solubility salmeterol salts ADRB3, ADRB1, HSD3B1 MIF 3262/4885TDO2 2135/4885CYP1A1 497/4885
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS MIF 3696/4885TDO2 1024/4885CYP1A1 4021/4885
US-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 MIF 1734/4885TDO2 47/4885CYP1A1 933/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 MIF 1696/4885TDO2 83/4885CYP1A1 962/4885
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS MIF 3696/4885TDO2 1024/4885CYP1A1 4021/4885
US-20030130300-A1 Respiratory system disorders; synergistic mixtures ADRB3, ADRB1, CHRM3 MIF 4155/4885TDO2 1905/4885CYP1A1 740/4885

“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.