SCHEMBL5388784

SCHEMBL5388784

CCOC(OCC)c1cc(C)c(O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
MAPT P10636 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
ALOX15 P16050 2/20 0.40
CYP2C19 P33261 2/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
G6PD P11413 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
CCR6 P51684 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.37
ESR1 P03372 6/20 0.34

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
SCHEMBL5386744 0.76 ESR2 (0.44) CYP3A4ALOX15ESR1ESR2SMN1; SMN2
SCHEMBL5612563 0.74 CYP2D6 (0.47) CYP3A4MAPTCYP2D6CYP2C9ALOX15
SCHEMBL5393005 0.74 BCHE (0.33) CYP3A4MAPTALOX15KDM4EALDH1A1
SCHEMBL20366920 0.73 CYP2D6 (0.37) CYP3A4MAPTCYP2D6CYP2C9ALOX15
SCHEMBL1245470 0.72 TSHR (0.50) CYP3A4MAPTCYP2D6CYP2C9ALOX15
SCHEMBL28647603 0.72 CYP2D6 (0.52) CYP3A4MAPTCYP2D6CYP2C9ALOX15
SCHEMBL20808843 0.72 CYP2D6 (0.52) CYP3A4MAPTCYP2D6CYP2C9ALOX15
SCHEMBL278233 0.72 CYP2D6 (0.52) CYP3A4MAPTCYP2D6CYP2C9ALOX15
SCHEMBL5377796 0.72 ESR1 (0.44) TP53ESR1ESR2ARTDP1
SCHEMBL6238001 0.72 ACHE (0.46) CYP3A4MAPTKDM4EALDH1A1LMNA

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 7 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
US-7105032-B2 Agents used for dyeing keratinous fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-09-12 US 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

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 CYP3A4 2086/4885MAPT 259/4885CYP2D6 2331/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 CYP3A4 3197/4885MAPT 2036/4885CYP2D6 3368/4885

“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.