Rose Bengal Free Acid

Rose Bengal Free Acid

SCHEMBL1444585

O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12.[NaH].[NaH]

nearest known ligand 0.98

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.98
THRB P10828 4/20 0.98
RECQL P46063 4/20 0.98
BLM P54132 4/20 0.98
KMT2A Q03164 4/20 0.98
TDP1 Q9NUW8 3/20 0.98
PARG Q86W56 2/20 0.98
ALDH1A1 P00352 1/20 0.98
LMNA P02545 1/20 0.98
MAPT P10636 1/20 0.98
HPGD P15428 1/20 0.98
ALOX12 P18054 1/20 0.98
BLVRB P30043 1/20 0.53
TDP2 O95551 1/20 0.45
HSPD1 P10809 1/20 0.45
GRK2 P25098 1/20 0.45
HSPE1 P61604 1/20 0.45
TST Q16762 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45

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
Rose Bengal Free Acid SCHEMBL29352253 0.99 MEN1 (1.00) MEN1THRBRECQLBLMKMT2A
Rose Bengal Free Acid SCHEMBL1464825 0.99 MEN1 (1.00) MEN1THRBRECQLBLMKMT2A
Rose Bengal Free Acid SCHEMBL1444588 0.98 MEN1 (0.98) MEN1THRBRECQLBLMKMT2A
Rose Bengal Free Acid SCHEMBL16295175 0.98 MEN1 (0.98) MEN1THRBRECQLBLMKMT2A
SCHEMBL1464215 0.94 MEN1 (0.90) MEN1THRBRECQLBLMKMT2A
SCHEMBL1444877 0.93 MEN1 (0.88) MEN1THRBRECQLBLMKMT2A
SCHEMBL1444918 0.92 MEN1 (0.86) MEN1THRBRECQLBLMKMT2A
SCHEMBL1444592 0.92 MEN1 (0.86) MEN1THRBRECQLBLMKMT2A
SCHEMBL23423520 0.91 PARG (0.85) MEN1THRBRECQLBLMKMT2A
SCHEMBL13925140 0.91 PARG (0.85) MEN1THRBRECQLBLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422260-B2 Process for the synthesis of 4,5,6,7-tetrachloro-3′,6′-dihydroxy-2′,4′,5′,7′-tetraiodo-3H-spiro[isobenzofuran-1,9′-xanthen]-3-one(Rose Bengal) and related xanthenes PROVECTUS PHARMATECH, INC. (US) 2016-08-23 US disclosed
US-9273022-B2 Process for the synthesis of 4,5,6,7-tetrachloro-3′,6′-dihydroxy-2′, 4′, 5′7′-tetraiodo-3H-spiro[isobenzofuran-1,9′-xanthen]-3-one (Rose Bengal) and related xanthenes PROVECTUS PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
EP-2464225-B1 PROCESS FOR THE SYNTHESIS OF 4,5,6,7-TETRACHLORO-3',6'-DIHYDROXY-2',4',5'7'-TETRAIODO-3H-SPIRO[ISOBENZOFURAN-1,9'-XANTHEN]-3-ONE (ROSE BENGAL) AND RELATED XANTHENES PROVECTUS PHARMATECH INC (US) 2015-09-16 EP disclosed
US-20140343296-A1 Process for the Synthesis of 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one (Rose Bengal) and Related Xanthenes TIMOTHY WILLIAMS REVOCABLE TRUST 2014-11-20 US disclosed
US-20130274322-A1 Process for the Synthesis of 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one(Rose Bengal) and Related Xanthenes PROVECTUS PHARMACEUTICALS, INC. 2013-10-17 US disclosed
US-8530675-B2 Process for the synthesis of 4,5,6,7-tetrachloro-3′,6′-dihydroxy-2′,4′,5′,7′-tetraiodo-3H-spiro[isobenzofuran-1,9′-xanthen]-3-one (rose bengal) and related xanthenes PROVECTUS PHARMACEUTICALS, INC. (US) 2013-09-10 US disclosed
EP-2464225-A1 PROCESS FOR THE SYNTHESIS OF 4,5,6,7-TETRACHLORO-3',6'-DIHYDROXY-2',4',5'7'-TETRAIODO-3H-SPIRO[ISOBENZOFURAN-1,9'-XANTHEN]-3-ONE (ROSE BENGAL) AND RELATED XANTHENES Provectus Pharmatech, Inc. (US) 2012-06-20 EP disclosed
US-20110071217-A1 Process for the Synthesis of 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one (Rose Bengal) and Related Xanthenes PROVECTUS PHARMACEUTICALS, INC. 2011-03-24 US disclosed
WO-2011035161-A1 PROCESS FOR THE SYNTHESIS OF 4,5,6,7-TETRACHLORO-3',6'-DIHYDROXY-2',4',5'7'-TETRAIODO-3H-SPIRO[ISOBENZOFURAN-1,9'-XANTHEN]-3-ONE (ROSE BENGAL) AND RELATED XANTHENES PROVECTUS PHARMACEUTICALS, INC. (US) 2011-03-24 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 (3 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-20110071217-A1 Process for the Synthesis of 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one (Rose Bengal) and Related Xanthenes TPO, MPO, NISCH MEN1 1562/4885THRB 184/4885RECQL 1624/4885
US-20140343296-A1 Process for the Synthesis of 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one (Rose Bengal) and Related Xanthenes TPO, MPO, NISCH MEN1 1562/4885THRB 184/4885RECQL 1624/4885
US-20130274322-A1 Process for the Synthesis of 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one(Rose Bengal) and Related Xanthenes TPO, MPO, NISCH MEN1 1562/4885THRB 184/4885RECQL 1624/4885

“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.