SCHEMBL3248545

SCHEMBL3248545

c1c[n+](CCSSCC[n+]2ccc3c(c2)CCCC3)cc2c1CCCC2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.33
▸ BCHE P06276 12/20 0.32
▸ ACHE P22303 10/20 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
SCHEMBL4367380 0.88 BCHE (0.40) BCHEACHE
SCHEMBL4402638 0.79 CHRNA7 (0.39) TSHRBCHEACHE
SCHEMBL4401403 0.76 BCHE (0.47) TSHRBCHEACHE
SCHEMBL4400686 0.75 CHRNA7 (0.47) BCHEACHE
Hydrochloric Acid SCHEMBL2178659 0.75 BCHE (0.46) TSHRBCHEACHE
SCHEMBL16591502 0.73 ACHE (0.49) TSHRBCHEACHE
SCHEMBL13231587 0.73 CHRNA7 (0.51) BCHEACHE
Bromide SCHEMBL7376257 0.73 CYP2D6 (0.41) TSHRBCHEACHE
SCHEMBL4398947 0.71 BCHE (0.38) BCHEACHE
Bromide SCHEMBL2178475 0.70 BCHE (0.39) BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2075289-B1 Styryl tetrahydroquinolinium thiol/disulfide compound, process for lightening keratin materials using this dye OREAL (FR) 2012-08-15 — — EP disclosed
EP-2075289-B1 Styryl tetrahydroquinolinium thiol/disulfide compound, process for lightening keratin materials using this dye OREAL (FR) 2012-08-15 — — EP disclosed
US-7744657-B2 Styrl tetrahydroquinolinium thiol/disulfide dye compound and method for lightening keratin materials using the same L'OREAL S.A. (FR) 2010-06-29 — — US disclosed
US-7744657-B2 Styrl tetrahydroquinolinium thiol/disulfide dye compound and method for lightening keratin materials using the same L'OREAL S.A. (FR) 2010-06-29 — — US disclosed
EP-2075289-A1 Styryl tetrahydroquinolinium thiol/disulfide compound, process for lightening keratin materials using this dye L'Oréal (FR) 2009-07-01 — — EP disclosed
EP-2075289-A1 Styryl tetrahydroquinolinium thiol/disulfide compound, process for lightening keratin materials using this dye L'Oréal (FR) 2009-07-01 — — EP disclosed
US-20090126125-A1 STYRYL TETRAHYDROQUINOLINIUM THIOL/DISULFIDE DYE COMPOUND AND METHOD FOR LIGHTENING KERATIN MATERIALS USING THE SAME L'OREAL S.A. (FR) 2009-05-21 — — US disclosed
US-20090126125-A1 STYRYL TETRAHYDROQUINOLINIUM THIOL/DISULFIDE DYE COMPOUND AND METHOD FOR LIGHTENING KERATIN MATERIALS USING THE SAME L'OREAL S.A. (FR) 2009-05-21 — — 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 (1 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-20090126125-A1 STYRYL TETRAHYDROQUINOLINIUM THIOL/DISULFIDE DYE COMPOUND AND METHOD FOR LIGHTENING KERATIN MATERIALS USING THE SAME KRT18, TST, CYBA TSHR 4070/4885BCHE 1522/4885ACHE 1251/4885

“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.

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