SCHEMBL6131749

SCHEMBL6131749

Oc1ccc(-c2ccc3ccccc3[o+]2)cc1O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD38 P28907 5/20 0.55
ALOX5 P09917 8/20 0.55
APP P05067 3/20 0.46
MCL1 Q07820 1/20 0.38
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
F2 P00734 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
DPP4 P27487 1/20 0.36
SNCA P37840 1/20 0.36
GLO1 Q04760 1/20 0.36

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
SCHEMBL30891532 1.00 CD38 (0.55) CD38ALOX5APPMCL1NPC1
Hydrochloric Acid SCHEMBL6131736 0.98 CD38 (0.54) CD38ALOX5APPMCL1NPC1
SCHEMBL7045279 0.90 CD38 (0.54) CD38ALOX5APPF2NR1H2
SCHEMBL7044449 0.90 CD38 (0.54) CD38ALOX5APPF2NR1H2
SCHEMBL8428316 0.86 ALOX5 (0.45) CD38ALOX5APPMCL1NPC1
SCHEMBL30884160 0.84 ALOX5 (0.39) CD38ALOX5SNCAGLO1
SCHEMBL6131735 0.83 CD38 (0.64) CD38ALOX5APPF2NR1H2
Hydrochloric Acid SCHEMBL6131737 0.81 CD38 (0.62) CD38ALOX5APPF2NR1H2
SCHEMBL6131734 0.80 ESR1 (0.47) CD38APPNPC1
Hydrochloric Acid SCHEMBL6131741 0.79 ESR1 (0.46) CD38APPNPC1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 disclosed
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 disclosed
US-6241785-B1 HOIR DYES L'OREAL (FR) 2001-06-05 US disclosed
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 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 2829/4885APP 4356/4885
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 109/4885APP 4165/4885
US-20020048555-A1 Artificial tanning compositions comprising flavylium salts ADH7, TYR, HADHB CD38 3003/4885ALOX5 196/4885APP 4021/4885
US-20050169856-A1 Coloring composition, process of making, uses thereof CUTA, TYR, POLR1C CD38 3979/4885ALOX5 715/4885APP 3088/4885
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 2579/4885APP 4436/4885

“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.