SCHEMBL3932902

SCHEMBL3932902

FC(F)(F)O[N]c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.36
▸ CYP1A2 P05177 1/20 0.33
▸ CES1 P23141 3/20 0.33
▸ CES2 O00748 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ MIF P14174 1/20 0.32
▸ HTR3E A5X5Y0 1/20 0.32
▸ SLC22A2 O15244 1/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ SLC22A3 O75751 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ PLAU P00749 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ HTR3D Q70Z44 1/20 0.32
▸ HTR3C Q8WXA8 1/20 0.32
▸ KCNN4 O15554 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MAPT P10636 2/20 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
SCHEMBL50026 0.75 ALDH1A1 (0.39) ALDH1A1TSHRMIFHTR3ESLC22A2
SCHEMBL11861207 0.67 PPARG (0.41) ALDH1A1TSHR
SCHEMBL4589447 0.65 GRIN2B (0.42) ALDH1A1TSHRCES1MIF
SCHEMBL49505 0.65 — —
SCHEMBL3607297 0.65 ALDH1A1 (0.45) ALDH1A1TSHRCYP1A2CES1CES2
SCHEMBL7477187 0.65 ALDH1A1 (0.39) ALDH1A1MIFHTR3ESLC22A2SLC22A1
SCHEMBL2638472 0.63 LTA4H (0.43) ALDH1A1TSHRMIFHTR3ESLC22A2
SCHEMBL5830120 0.62 ALDH1A1 (0.36) ALDH1A1MIFHTR3ESLC22A2SLC22A1
SCHEMBL5830119 0.62 ALDH1A1 (0.36) ALDH1A1TSHRMIFHTR3ESLC22A2
SCHEMBL11568501 0.62 HTR3E (0.50) ALDH1A1TSHRCYP1A2CES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312200-B2 9-ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2007-12-25 — — US claimed
US-20060128642-A1 9-Ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2006-06-15 — — US claimed
US-6733540-B2 FOR USE IN OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2004-05-11 — — US claimed
EP-1066246-B1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING OREAL (FR) 2003-11-05 — — EP claimed
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 — — EP claimed
US-6635091-B2 Oxidation color dye and coupler L'OREAL S. A. (FR) 2003-10-21 — — US claimed
US-6605124-B1 Naphthol hair dyes for keratinous fibers L'OREAL S.A. (FR) 2003-08-12 — — US claimed
US-6544298-B1 Dyeing human hair using coupler L'OREAL (FR) 2003-04-08 — — US claimed
US-6537329-B1 Intense colorations with a wide range of colours, excellent colorfastness L'OREAL S.A. (FR) 2003-03-25 — — US claimed
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods L'OREAL SA (FR) 2002-12-05 — — US claimed
EP-1129689-A2 Keratinous fiber dyeing composition comprising N-(2-hydroxybenzene)-carbamate or N-(2-hydroxybenzene)urea derivatives as coupling agents and process for dyeing L'OREAL (FR) 2001-09-05 — — EP claimed
WO-2001062220-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2001-08-30 — — WO claimed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 — — EP claimed
EP-1066264-A2 NOVEL CATIONIC 2-SULPHONYLAMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM AND DYEING METHODS L'OREAL (FR) 2001-01-10 — — EP claimed
EP-1066263-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2001-01-10 — — EP claimed
EP-1066246-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2001-01-10 — — EP claimed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 — — WO claimed
WO-2000043368-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2000-07-27 — — WO claimed
WO-2000042971-A2 NOVEL CATIONIC 2-SULPHONYLAMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM AND DYEING METHODS L'OREAL (FR) 2000-07-27 — — WO claimed
WO-2000043356-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2000-07-27 — — WO 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-20060128642-A1 9-Ketospinosyn derivatives SNX9, NANS, BROX ALDH1A1 4038/4885TSHR 3417/4885CYP1A2 1670/4885
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods FH, KRT18, CYB5R3 ALDH1A1 389/4885TSHR 4214/4885CYP1A2 193/4885

“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.

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