SCHEMBL5377770

SCHEMBL5377770

CCOC(OCC)c1ccccc1N(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
TSHR P16473 3/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPK1 P28482 2/20 0.34
NSD2 O96028 1/20 0.34
EGFR P00533 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CHEK1 O14757 1/20 0.33
NEK2 P51955 1/20 0.33
LIMK1 P53667 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
CYP2D6 P10635 3/20 0.32
HTR6 P50406 3/20 0.32

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
SCHEMBL8926766 0.83 L3MBTL1 (0.33) ALDH1A1MAPTTSHRGAAL3MBTL1
SCHEMBL11795724 0.80 TSHR (0.37) ALDH1A1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL5397318 0.79 CHEK1 (0.44) MAPTGAASMN1; SMN2LMNAL3MBTL1
SCHEMBL7474036 0.74 SLC6A4 (0.47) ALDH1A1TSHRSMN1; SMN2LMNASLC6A2
SCHEMBL898540 0.74 ESR1 (0.50) ALDH1A1TSHRGAALMNAL3MBTL1
SCHEMBL699772 0.74 ALDH1A1 (0.38) ALDH1A1MAPTTSHRTP53L3MBTL1
SCHEMBL25053616 0.72 MAPT (0.36) ALDH1A1MAPTTSHRGAASMN1; SMN2
SCHEMBL6055171 0.72 LMNA (0.48) ALDH1A1MAPTTSHRGAASMN1; SMN2
SCHEMBL933759 0.72 IDO1 (0.39) ALDH1A1MAPTTSHRL3MBTL1TDP1
SCHEMBL7101257 0.72 L3MBTL1 (0.36) ALDH1A1TSHRL3MBTL1LTA4HBCHE

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
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
US-5676884-A Nonlinear optical materials containing polar disulfone-functionalized molecules MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-14 US disclosed
US-5578251-A NONLINEAR-OPTICAL RESPONSE; ALKYLATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-11-26 US disclosed
US-5360582-A Compositions with polymers for light sensitive elements MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-01 US disclosed
EP-0594697-A1 NONLINEAR OPTICAL MATERIALS CONTAINING POLAR DISULFONE-FUNCTIONALIZED MOLECULES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-05-04 EP disclosed
WO-1993002383-A1 NONLINEAR OPTICAL MATERIALS CONTAINING POLAR DISULFONE-FUNCTIONALIZED MOLECULES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-02-04 WO disclosed
US-4656192-A Tropolone derivatives, processes for the preparation thereof and the use thereof as anti-tumor agents MECT CORPORATION (JP) 1987-04-07 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 ALDH1A1 343/4885MAPT 259/4885TSHR 4859/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 ALDH1A1 780/4885MAPT 2036/4885TSHR 4090/4885

“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.