SCHEMBL3795103

SCHEMBL3795103

C=CC[N+]([O-])(CCCO)CCCO

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 1/20 0.34
TSHR P16473 1/20 0.30

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
SCHEMBL175526 0.85 TSHR (0.33) BBOX1TSHR
SCHEMBL8018637 0.76 CAMK2A (0.33) TSHR
SCHEMBL10608719 0.75 TSHR (0.33) BBOX1TSHR
SCHEMBL31447340 0.75 TSHR (0.33) BBOX1TSHR
Iodide SCHEMBL31548702 0.73 TSHR (0.32) BBOX1TSHR
Hydrochloric Acid SCHEMBL11442776 0.73 TSHR (0.32) BBOX1TSHR
Bromide SCHEMBL31509556 0.73 TSHR (0.32) BBOX1TSHR
SCHEMBL8421490 0.73 LSS (0.48) TSHR
SCHEMBL8421987 0.73 LSS (0.48) TSHR
SCHEMBL460055 0.73 BBOX1 (0.30) BBOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662193-B2 Hair dye composition KAO CORPORATION (JP) 2010-02-16 US disclosed
US-20090049622-A1 HAIR DYE COMPOSITION KAO CORPORATION (JP) 2009-02-26 US disclosed
EP-1398022-B1 Method of dyeing hair characterised by use of an azo dye containing a dissociative proton KAO CORP (JP) 2008-03-19 EP disclosed
EP-1369105-B1 Use and method for dyeing hair KAO CORP (JP) 2008-03-19 EP disclosed
EP-1847249-A1 HAIRDYE COMPOSITION Kao Corporation (JP) 2007-10-24 EP disclosed
EP-1240892-B1 Hair colouring method and composition comprising a ring-fused heterocycle direct dyestuff KAO CORP (JP) 2007-05-09 EP disclosed
EP-1275367-B1 Hair coloring composition comprising pyrazoloazole compounds KAO CORP (JP) 2006-11-29 EP disclosed
US-7083655-B2 Hair dye composition KAO CORPORATION (JP) 2006-08-01 US disclosed
US-7056355-B2 Hair dye composition and dyeing method KAO CORPORATION (JP) 2006-06-06 US disclosed
US-20050015896-A1 Hair dye composition and dyeing method KAO CORPORATION (JP) 2005-01-27 US disclosed
US-6783558-B2 USING A COMPOSITION COMPRISING A SPECIFIED RING-FUSED HETEROCYCLE DIRECT DYESTUFF; LONG LASTING BRILLIANT COLORS STABLE AGAINST WASHING KAO CORPORATION (JP) 2004-08-31 US disclosed
EP-1398022-A1 Hair dye composition comprising an azo dye containing a dissociative proton, method and use Kao Corporation (JP) 2004-03-17 EP disclosed
US-20040019982-A1 Hair dye composition KAO CORPORATION (JP) 2004-02-05 US disclosed
EP-1369105-A1 Hair dye composition Kao Corporation (JP) 2003-12-10 EP disclosed
US-20030024059-A1 Hair colouring method and composition KAO CORPORATION (JP) 2003-02-06 US disclosed
EP-1275367-A1 Hair coloring composition comprising pyrazoloazole compounds KAO CORPORATION (JP) 2003-01-15 EP disclosed
EP-1240892-A2 Hair colouring method and composition comprising a ring-fused heterocycle direct dyestuff Kao Corporation (JP) 2002-09-18 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 (4 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-20040019982-A1 Hair dye composition CYBA, SDHB, S100B BBOX1 392/4885TSHR 3739/4885
US-20090049622-A1 HAIR DYE COMPOSITION TYR, AR, AHR BBOX1 2022/4885TSHR 4013/4885
US-20030024059-A1 Hair colouring method and composition TYR, SHH, CYBB BBOX1 432/4885TSHR 2763/4885
US-20050015896-A1 Hair dye composition and dyeing method SULT1A1, CYP21A2, SULT2A1 BBOX1 201/4885TSHR 3772/4885

“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.