SCHEMBL6131735

SCHEMBL6131735

Oc1ccc2ccc(-c3ccc(O)c(O)c3)[o+]c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 5/20 0.64
ALOX5 P09917 3/20 0.47
ESR2 Q92731 6/20 0.45
ESR1 P03372 5/20 0.45
F2 P00734 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
APP P05067 2/20 0.43
DPP4 P27487 1/20 0.43
SNCA P37840 1/20 0.43
GLO1 Q04760 1/20 0.43
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
GAA P10253 1/20 0.37

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
Hydrochloric Acid SCHEMBL6131737 0.98 CD38 (0.62) CD38ALOX5ESR2ESR1F2
SCHEMBL7045279 0.90 CD38 (0.54) CD38ALOX5ESR2ESR1F2
SCHEMBL7044449 0.90 CD38 (0.54) CD38ALOX5ESR2ESR1F2
SCHEMBL7045086 0.87 CD38 (0.79) CD38ALOX5ESR2ESR1F2
SCHEMBL6131748 0.85 CD38 (0.49) CD38ESR2ESR1GLO1
Hydrochloric Acid SCHEMBL6131744 0.84 CD38 (0.47) CD38ESR2ESR1GLO1
SCHEMBL30891532 0.83 CD38 (0.55) CD38ALOX5F2NR1H2NR1H3
SCHEMBL6131749 0.83 CD38 (0.55) CD38ALOX5F2NR1H2NR1H3
Hydrochloric Acid SCHEMBL6131736 0.81 CD38 (0.54) CD38ALOX5F2NR1H2NR1H3
SCHEMBL6131738 0.80 CD38 (0.49) CD38ALOX5APPKDM4EMEN1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559392-A1 Process for preparing a composition for permanent or semipermanent dyeing of skin, eyebrows, lips or nails from a fluid under pressure and dyestuffs L'OREAL (FR) 2005-08-03 EP claimed
EP-1172090-B1 Skin dyeing compositions comprising dihydroxyacetone and a flavylium salt non substituted in position 3 OREAL (FR) 2005-03-09 EP claimed
EP-1172093-B1 Compositions for coloring the skin containing flavylium salt compounds unsubstituted in position 3 and an organomodified silicone OREAL (FR) 2004-12-01 EP claimed
EP-1172092-B1 Compositions for coloring the skin containing at least one UV filter and flavylium salt compounds unsubstituted in position 3 OREAL (FR) 2004-09-15 EP claimed
US-6558655-B2 Substituted with at least one hydroxyl group or alkoxy radical. Société l'Oréal S.A. (FR) 2003-05-06 US claimed
US-6537528-B2 Coloration close to that of a natural tan and which may be stable over time L'OREAL S.A. (FR) 2003-03-25 US claimed
US-6511656-B2 Compositions for coloring the skin comprising at least one flavylium salt which is unsubstituted in position 3 and at least one organomodified silicone L'OREAL S.A. (FR) 2003-01-28 US claimed
US-6471949-B2 COSMETICS; FOR ARTIFICIALLY COLORING THE SKIN L'OREAL S.A. (FR) 2002-10-29 US claimed
US-20020064507-A1 Compositions comprising at least one UV screening agent and at least one flavylium salt which is unsubstituted in position 3, for coloring the skin, and uses thereof L'OREAL S.A. (FR) 2002-05-30 US claimed
US-20020051755-A1 Composition comprising at least one self-tanning agent chosen from monocarbonyl and polycarbonyl compounds and a flavylium salt compound which is unsubstituted in position 3, for coloring the skin, and uses thereof L'OREAL S.A. (FR) 2002-05-02 US claimed
US-20020048555-A1 Artificial tanning compositions comprising flavylium salts SOCIETE L'OREAL S.A. (FR) 2002-04-25 US claimed
US-20020048556-A1 Compositions for coloring the skin comprising at least one flavylium salt which is unsubstituted in position 3 and at least one organomodified silicone L'OREAL S.A (FR) 2002-04-25 US claimed
EP-1172090-A1 Skin dyeing compositions containing at least a mono or polycarbonyl self-tanning compound and a flavylium salt non substituted in position 3 L'OREAL (FR) 2002-01-16 EP claimed
EP-1172091-A1 Skin dyeing compositions containing flavylium salt compounds non substituted in position 3 L'OREAL (FR) 2002-01-16 EP claimed
EP-1172093-A1 Skin dyeing compositions containing flavylium salt compounds non substituted in position 3 and an organomodified silicone L'OREAL (FR) 2002-01-16 EP claimed
US-6241785-B1 HOIR DYES L'OREAL (FR) 2001-06-05 US claimed
EP-0949897-B1 USE OF FLAVYLIUM TYPE COMPOUNDS NON-SUBSTITUTED IN POSITION 3 FOR DYEING KERATINOUS FIBRES AND COMPOSITIONS CONTAINING THEM OREAL (FR) 2001-05-23 EP claimed
US-20050169856-A1 Coloring composition, process of making, uses thereof L'OREAL (FR) 2005-08-04 US disclosed
EP-0949897-A1 USE OF FLAVYLIUM TYPE COMPOUNDS NON-SUBSTITUTED IN POSITION 3 FOR DYEING KERATINOUS FIBRES AND COMPOSITIONS CONTAINING THEM L'OREAL (FR) 1999-10-20 EP disclosed
WO-1998027940-A1 USE OF FLAVYLIUM TYPE COMPOUNDS NON-SUBSTITUTED IN POSITION 3 FOR DYEING KERATINOUS FIBRES AND COMPOSITIONS CONTAINING THEM L'OREAL (FR) 1998-07-02 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 (5 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-20020064507-A1 Compositions comprising at least one UV screening agent and at least one flavylium salt which is unsubstituted in position 3, for coloring the skin, and uses thereof TYR, CUTA, POLR1C CD38 4238/4885ALOX5 2829/4885ESR2 2837/4885
US-20020048556-A1 Compositions for coloring the skin comprising at least one flavylium salt which is unsubstituted in position 3 and at least one organomodified silicone CUTA, LPO, TYR CD38 4862/4885ALOX5 109/4885ESR2 639/4885
US-20020048555-A1 Artificial tanning compositions comprising flavylium salts ADH7, TYR, HADHB CD38 3003/4885ALOX5 196/4885ESR2 2363/4885
US-20050169856-A1 Coloring composition, process of making, uses thereof CUTA, TYR, POLR1C CD38 3979/4885ALOX5 715/4885ESR2 4705/4885
US-20020051755-A1 Composition comprising at least one self-tanning agent chosen from monocarbonyl and polycarbonyl compounds and a flavylium salt compound which is unsubstituted in position 3, for coloring the skin, and uses thereof TYR, CUTA, MITF CD38 3110/4885ALOX5 2579/4885ESR2 3189/4885

“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.