SCHEMBL5378325

SCHEMBL5378325

Cc1cc(C=NCCO)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
BACE1 P56817 1/20 0.42
ESR1 P03372 5/20 0.40
ESR2 Q92731 4/20 0.40
ALPL P05186 1/20 0.40
POLB P06746 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
BLM P54132 1/20 0.40
GFER P55789 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SRC P12931 1/20 0.39
CA2 P00918 1/20 0.38
MEN1 O00255 1/20 0.38
AR P10275 3/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL5378321 1.00 SHBG (0.43) SHBGKMT2AALDH1A1BACE1ESR1
SCHEMBL4601968 0.84 POLB (0.59) SHBGKMT2AALDH1A1ALPLPOLB
SCHEMBL4601969 0.84 POLB (0.59) SHBGKMT2AALDH1A1ALPLPOLB
SCHEMBL8756783 0.81 ALDH1A1 (0.46) SHBGKMT2AALDH1A1BACE1ESR1
SCHEMBL8756787 0.81 ALDH1A1 (0.46) SHBGKMT2AALDH1A1BACE1ESR1
SCHEMBL5380264 0.80 ERN1 (0.43) KMT2AALDH1A1ESR1ESR2SRC
SCHEMBL5380258 0.80 ERN1 (0.43) KMT2AALDH1A1ESR1ESR2SRC
SCHEMBL4602760 0.79 SHBG (0.68) SHBGKMT2AALDH1A1BACE1POLB
SCHEMBL4602764 0.79 SHBG (0.68) SHBGKMT2AALDH1A1BACE1POLB
SCHEMBL5382911 0.76 MEN1 (0.70) SHBGKMT2AALDH1A1POLBALPI

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 9 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
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

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 SHBG 745/4885KMT2A 1260/4885ALDH1A1 343/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 SHBG 1835/4885KMT2A 1075/4885ALDH1A1 780/4885

“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.