SCHEMBL5377867

SCHEMBL5377867

CCOC(OCC)c1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.49
LMNA P02545 4/20 0.49
GALR3 O60755 1/20 0.49
ADRB1 P08588 2/20 0.47
ADRA1A P35348 2/20 0.47
TSHR P16473 2/20 0.47
ADRB2 P07550 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRB3 P13945 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
NFKB1 P19838 1/20 0.47
DRD1 P21728 1/20 0.47
HTR7 P34969 1/20 0.47
ADRA1B P35368 1/20 0.47
DRD3 P35462 1/20 0.47
RAB9A P51151 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL25165370 0.83 OPRM1 (0.51) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL9926594 0.80 HIF1A (0.45) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL5393180 0.79 CA12 (0.41) HIF1ALMNAADRA1ATSHRADRB2
SCHEMBL27830263 0.79 MEN1 (0.41) LMNAKDM4EACHEBCHEPTGS2
SCHEMBL7926083 0.78 AOC3 (0.44) ALDH1A1ACHEBCHEPTGS2
SCHEMBL16399016 0.78 ENPP2 (0.39) TSHRACHEBCHEPTGS2
SCHEMBL8177814 0.78 ADRB1 (0.50) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL8309641 0.77 PTGS2 (0.37) SLC6A3CYP3A4ACHEBCHEPTGS2
SCHEMBL6155751 0.77 AOC3 (0.45) SLC6A3OPRM1
SCHEMBL3141582 0.77 IDO1 (0.43) HTR1AADRA2ADRD1DRD3SLC6A3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 US disclosed
US-20070000074-A1 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-04 US disclosed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 EP disclosed
EP-1715839-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN, COMPRISING HETEROCYCLIC ENAMINES AND REACTIVE CARBONYL COMPOUNDS AND/OR REACTION PRODUCTS THEREOF Henkel Kommanditgesellschaft auf Aktien (DE) 2006-11-02 EP disclosed
US-7105032-B2 Agents used for dyeing keratinous fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-09-12 US disclosed
CN-1681470-A Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2005-10-12 CN disclosed
WO-2005063178-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN, COMPRISING HETEROCYCLIC ENAMINES AND REACTIVE CARBONYL COMPOUNDS AND/OR REACTION PRODUCTS THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-07-14 WO disclosed
US-20050144740-A1 Agents used for dyeing keratinous fibers HENKEL AG & CO. KGAA (DE) 2005-07-07 US disclosed
EP-1534227-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-06-01 EP disclosed
WO-2004022016-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-03-18 WO disclosed
US-4038386-A INOTROPIC AGENTS DEUTSCH GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-07-26 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 (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-20050144740-A1 Agents used for dyeing keratinous fibers KRT18, TUBB3, DSG1 HIF1A 2205/4885LMNA 803/4885GALR3 2873/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 HIF1A 1219/4885LMNA 160/4885GALR3 280/4885

“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.