SCHEMBL624726

SCHEMBL624726

O=C1CCCCC1=Cc1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.70
F3 P13726 1/20 0.70
HSD11B1 P28845 1/20 0.70
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
AKR1C3 P42330 1/20 0.62
AKR1C1 Q04828 1/20 0.62
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
GAA P10253 2/20 0.62
NPC1 O15118 1/20 0.62
HPGD P15428 1/20 0.62
RAB9A P51151 1/20 0.62
MGAM O43451 1/20 0.62
SI P14410 1/20 0.62
MGAM2 Q2M2H8 1/20 0.62
ALDH1A1 P00352 3/20 0.61
HTT P42858 2/20 0.61
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 2/20 0.57

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
SCHEMBL1524260 0.96 CYP2C9 (0.76) CYP2C9F3HSD11B1CYP1A2CYP3A4
SCHEMBL9302118 0.96 CYP2C9 (0.76) CYP2C9F3HSD11B1CYP1A2CYP3A4
SCHEMBL1524262 0.96 CYP2C9 (0.76) CYP2C9F3HSD11B1CYP1A2CYP3A4
SCHEMBL14473217 0.82 CYP2C9 (1.00) CYP2C9F3HSD11B1CYP1A2CYP3A4
SCHEMBL5585181 0.82 CYP2C9 (1.00) CYP2C9F3HSD11B1CYP1A2CYP3A4
SCHEMBL14033871 0.82 AKR1C3 (0.65) CYP2C9F3HSD11B1CYP1A2AKR1C3
SCHEMBL5585182 0.82 CYP2C9 (1.00) CYP2C9F3HSD11B1CYP1A2CYP3A4
SCHEMBL14034063 0.82 AKR1C3 (0.65) CYP2C9F3HSD11B1CYP1A2AKR1C3
SCHEMBL17077350 0.81 EGFR (0.62) CYP2C9F3HSD11B1CYP1A2CYP3A4
SCHEMBL9584524 0.81 AKR1C3 (0.93) CYP2C9F3HSD11B1CYP1A2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
US-7413579-B2 Method for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-19 US claimed
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 US claimed
US-20070000074-A1 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-04 US claimed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 EP claimed
US-20060265818-A1 At least two oxidation dye precursors, at least one of which must be of the developer type or at least two oxo dye precursors, at least one of which must be a reactive carbonyl compound; hair dyes producing uniform and natural-looking, lightened color reflections HENKEL KOMMANDITGESELLSCHAFT AUF AKLLEN (HENKEL KGAA) (DE) 2006-11-30 US claimed
EP-1433469-B1 Composition for dyeing keratinous fibres HENKEL KGAA (DE) 2006-10-11 EP claimed
US-7105032-B2 Agents used for dyeing keratinous fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-09-12 US claimed
EP-1434557-B1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KGAA (DE) 2005-11-09 EP claimed
CN-1681470-A Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2005-10-12 CN claimed
EP-1575539-A1 DYE TABLETS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 EP claimed
US-20050144740-A1 Agents used for dyeing keratinous fibers HENKEL AG & CO. KGAA (DE) 2005-07-07 US claimed
WO-2004058202-A1 DYE TABLETS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
EP-0873743-A2 Use of benzylidene-ketones for dyeing keratinous fibers Henkel Kommanditgesellschaft auf Aktien (DE) 1998-10-28 EP claimed
WO-2012021692-A1 CURCUMIN ANALOGS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-02-16 WO disclosed
US-20100278767-A1 Lightening Agents and/or Dyes that Contain Aldehyde(s) HENKEL AG & CO. KGAA (DE) 2010-11-04 US disclosed
US-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS HENKEL AG & CO. KGAA (DE) 2009-12-10 US disclosed
US-20060002965-A1 Mixing device HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) 2006-01-05 US disclosed
US-20050144740-A1 Agents used for dyeing keratinous fibers HENKEL AG & CO. KGAA (DE) 2005-07-07 US disclosed
EP-0873743-A2 Use of benzylidene-ketones for dyeing keratinous fibers Henkel Kommanditgesellschaft auf Aktien (DE) 1998-10-28 EP 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 (6 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-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS ASS1, SRM, COL1A1 CYP2C9 1082/4885F3 2067/4885HSD11B1 1090/4885
US-20060002965-A1 Mixing device TNF, EXOSC5, BMP6 CYP2C9 1742/4885F3 567/4885HSD11B1 2281/4885
US-20050144740-A1 Agents used for dyeing keratinous fibers KRT18, TUBB3, DSG1 CYP2C9 2820/4885F3 3351/4885HSD11B1 2909/4885
US-20060265818-A1 At least two oxidation dye precursors, at least one of which must be of the developer type or at least two oxo dye precursors, at least one of which must be a reactive carbonyl compound; hair dyes producing uniform and natural-looking, lightened color reflections KRT18, CUTA, PLOD2 CYP2C9 2255/4885F3 3994/4885HSD11B1 2035/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 CYP2C9 2247/4885F3 936/4885HSD11B1 2204/4885
US-20100278767-A1 Lightening Agents and/or Dyes that Contain Aldehyde(s) CCR3, CBR3, CCRL2 CYP2C9 1410/4885F3 338/4885HSD11B1 1303/4885

“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.