SCHEMBL6131734

SCHEMBL6131734

Oc1ccc(-c2ccc3ccccc3[o+]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.47
ESR2 Q92731 7/20 0.47
AR P10275 1/20 0.42
MMP3 P08254 1/20 0.41
BCL2L1 Q07817 1/20 0.41
CYP1A2 P05177 1/20 0.39
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
APP P05067 1/20 0.37
CD38 P28907 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NTSR1 P30989 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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 SCHEMBL6131741 0.98 ESR1 (0.46) ESR1ESR2ARMMP3BCL2L1
SCHEMBL8424402 0.93 ESR2 (0.46) ESR1ESR2ARMMP3BCL2L1
SCHEMBL7044449 0.85 CD38 (0.54) ESR1ESR2CYP1A2HSD17B1HSD17B2
SCHEMBL7045279 0.85 CD38 (0.54) ESR1ESR2CYP1A2HSD17B1HSD17B2
SCHEMBL29377385 0.84 ALDH1A1 (0.35) CYP1A2ALDH1A1MAPTHPGDHSD17B10
SCHEMBL6131748 0.82 CD38 (0.49) ESR1ESR2CYP1A2HSD17B1HSD17B2
Hydrochloric Acid SCHEMBL6131744 0.81 CD38 (0.47) ESR1ESR2CYP1A2HSD17B1HSD17B2
SCHEMBL30891532 0.80 CD38 (0.55) APPCD38NPC1
SCHEMBL6131749 0.80 CD38 (0.55) APPCD38NPC1
Hydrochloric Acid SCHEMBL6131736 0.79 CD38 (0.54) APPCD38NPC1

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 35 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
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-4376781-A FLAVYLIUM SALTS HAVING HYPOLIPEMIC ANTIINFLAMMATORY, VASO-PROTECTIVE, HYPOCHOLESTEROLEMIC AND HYPOGLYCEMIC ACTIVITY INVERNI DELLA BEFFA S.P.A. (IT) 1983-03-15 US claimed
US-20050169856-A1 Coloring composition, process of making, uses thereof L'OREAL (FR) 2005-08-04 US 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 ESR1 2981/4885ESR2 2837/4885AR 1883/4885
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 ESR1 929/4885ESR2 639/4885AR 354/4885
US-20020048555-A1 Artificial tanning compositions comprising flavylium salts ADH7, TYR, HADHB ESR1 2223/4885ESR2 2363/4885AR 825/4885
US-20050169856-A1 Coloring composition, process of making, uses thereof CUTA, TYR, POLR1C ESR1 4282/4885ESR2 4705/4885AR 3869/4885
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 ESR1 3016/4885ESR2 3189/4885AR 1578/4885

“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.