SCHEMBL5616902

SCHEMBL5616902

Cc1cc(F)c(F)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
RAPGEF4 Q8WZA2 3/20 0.36
NFE2L2 Q16236 1/20 0.35
PTGS2 P35354 2/20 0.34
ALDH1A1 P00352 2/20 0.33
PTGS1 P23219 1/20 0.33
TUBB1 Q9H4B7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
HDAC1 Q13547 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
SCHEMBL30867032 1.00 ACHE (0.42) ACHECYP3A4TSHRMAPK1RAPGEF4
SCHEMBL18867947 0.85 CYP3A4 (0.40) ACHECYP3A4TSHRMAPK1RAPGEF4
SCHEMBL823783 0.85 ACHE (0.38) ACHERAPGEF4NFE2L2PTGS2PTGS1
SCHEMBL1057045 0.85 CYP3A4 (0.40) ACHECYP3A4TSHRMAPK1RAPGEF4
SCHEMBL30166047 0.85 CYP3A4 (0.40) ACHECYP3A4TSHRMAPK1RAPGEF4
SCHEMBL261036 0.83 ACHE (0.42) ACHECYP3A4TSHRMAPK1RAPGEF4
Hydrochloric Acid SCHEMBL29178225 0.82 ACHE (0.36) ACHERAPGEF4NFE2L2PTGS2PTGS1
Bromide SCHEMBL28031443 0.82 ACHE (0.36) ACHERAPGEF4NFE2L2PTGS2PTGS1
SCHEMBL810964 0.82 ACHE (0.36) ACHECYP3A4TSHRMAPK1RAPGEF4
Methyl Alcohol SCHEMBL28273171 0.79 DAO (0.36) ACHERAPGEF4NFE2L2PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007054213-A1 PROCESS FOR CONTINUOUSLY PREPARING DIFLUOROBENZENE DERIVATIVES WITH LONG OPERATING TIMES BAYER TECHNOLOGY SERVICES GMBH (DE) 2007-05-18 WO claimed
CN-117964544-A Synthetic method of isoindoline derivatives 上海吉奉生物科技有限公司 2024-05-03 CN disclosed
US-11916180-B2 Organic solar cell and photodetector materials and devices THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-02-27 US disclosed
US-11916180-B2 Organic solar cell and photodetector materials and devices THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-02-27 US disclosed
US-20230371357-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-16 US disclosed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
WO-2023162852-A1 SECONDARY BATTERY ELECTROLYTE AND SECONDARY BATTERY 株式会社村田製作所 2023-08-31 WO disclosed
US-20230263056-A1 ORGANIC SOLAR CELL AND PHOTODETECTOR MATERIALS AND DEVICES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-17 US disclosed
US-20230263056-A1 ORGANIC SOLAR CELL AND PHOTODETECTOR MATERIALS AND DEVICES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-17 US disclosed
EP-4227307-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS Genzyme Corporation (US) 2023-08-16 EP disclosed
WO-2007054213-A1 PROCESS FOR CONTINUOUSLY PREPARING DIFLUOROBENZENE DERIVATIVES WITH LONG OPERATING TIMES BAYER TECHNOLOGY SERVICES GMBH (DE) 2007-05-18 WO disclosed
US-7214763-B2 Electroactive fluorene copolymers and devices made with such polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-05-08 US disclosed
US-7211643-B2 Electroactive fluorene copolymers and devices made with such polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-05-01 US disclosed
US-7183366-B2 Aromatic copolymers from dihalofluorene compounds and another dihalo- or diborono- aromatic monomers; organic electroluminescent polymers for use in light-emitting diodes E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-27 US disclosed
EP-1094053-B1 Method of preparing fluoroaromatic compounds ZELINSKY INST OF ORGANIC CHEMI (RU) 2003-05-21 EP disclosed
EP-1094053-A1 Method of preparing fluoroaromatic compounds Zelinsky Institute of Organic Chemistry (RU) 2001-04-25 EP disclosed
US-6008407-A REACTING CHLOROTRIFLUOROETHYLENE AND 1,3-BUTADIENE TO PRODUCE CHLOROTRIFLUOROCYCLOHEXENES, DEHYDROHALOGENATING THE MIXTURE OF CYCLOHEXENES WITH PHASE TRANSFER CATALYST IN PRESENCE OF ALKALI METAL HYDROXIDE WITHOUT SOLVENT ZELINSKY INSTITUTE OF ORGANIC CHEMISTRY (RU) 1999-12-28 US disclosed
EP-0285324-B1 PREPARATION OF SUBSTITUTED FLUOROBENZENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-11-27 EP disclosed
EP-0285324-A1 Preparation of substituted fluorobenzenes E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-10-05 EP disclosed
US-4754084-A PYROLYSIS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-06-28 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 (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-20230263056-A1 ORGANIC SOLAR CELL AND PHOTODETECTOR MATERIALS AND DEVICES OCIAD1, OCIAD2, CDH1 ACHE 4455/4885CYP3A4 1909/4885TSHR 4708/4885
US-20230371357-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE L1CAM, CHRM1, FOXM1 ACHE 574/4885CYP3A4 256/4885TSHR 2605/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 ACHE 4527/4885CYP3A4 1684/4885TSHR 3398/4885
US-11916180-B2 Organic solar cell and photodetector materials and devices OCIAD1, OCIAD2, CDH1 ACHE 4455/4885CYP3A4 1909/4885TSHR 4708/4885

“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.