SCHEMBL6131738

SCHEMBL6131738

COc1ccc2ccc(-c3ccc(O)c(O)c3)[o+]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 3/20 0.49
ADORA3 P0DMS8 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PTPN1 P18031 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ALOX5 P09917 1/20 0.40
NQO2 P16083 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 2/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39

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 SCHEMBL6131746 0.99 CD38 (0.48) CD38ADORA3CYP11B1CYP11B2PTPN1
SCHEMBL8428316 0.93 ALOX5 (0.45) CD38ADORA3CYP11B1CYP11B2PTPN1
SCHEMBL6131735 0.80 CD38 (0.64) CD38HSP90AA1ALOX5SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL6131737 0.78 CD38 (0.62) CD38HSP90AA1ALOX5SMN1; SMN2KDM4E
SCHEMBL6131749 0.76 CD38 (0.55) CD38ALOX5MCL1TDP1APP
SCHEMBL30891532 0.76 CD38 (0.55) CD38ALOX5MCL1TDP1APP
Hydrochloric Acid SCHEMBL6131736 0.75 CD38 (0.54) CD38ALOX5MCL1TDP1APP
SCHEMBL7045279 0.71 CD38 (0.54) CD38HSP90AA1ALOX5SMN1; SMN2KDM4E
SCHEMBL7044449 0.71 CD38 (0.54) CD38HSP90AA1ALOX5SMN1; SMN2KDM4E
SCHEMBL67498 0.71 ALDH1A1 (0.61) ALOX5NQO2RELASMN1; SMN2KDM4E

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 34 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-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
US-20020048555-A1 Artificial tanning compositions comprising flavylium salts SOCIETE 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-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
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 4238/4885ADORA3 2397/4885CYP11B1 1387/4885
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 4862/4885ADORA3 1923/4885CYP11B1 1230/4885
US-20020048555-A1 Artificial tanning compositions comprising flavylium salts ADH7, TYR, HADHB CD38 3003/4885ADORA3 931/4885CYP11B1 599/4885
US-20050169856-A1 Coloring composition, process of making, uses thereof CUTA, TYR, POLR1C CD38 3979/4885ADORA3 4782/4885CYP11B1 1029/4885
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 3110/4885ADORA3 3507/4885CYP11B1 3748/4885

“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.