SCHEMBL1464049

SCHEMBL1464049

O=C1OC2(c3cc(Cl)c(O)cc3Oc3c2ccc(O)c3Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 2/20 0.64
ALDH1A1 P00352 3/20 0.49
RECQL P46063 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
THRB P10828 2/20 0.49
BRCA1 P38398 2/20 0.49
HSD17B10 Q99714 2/20 0.49
BLM P54132 2/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
HIF1A Q16665 1/20 0.49
GLB1 P16278 1/20 0.49
CTRC Q99895 1/20 0.49
DHFR P00374 5/20 0.39
TYMS P04818 3/20 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
SCHEMBL1444923 0.88 SMAD3 (0.57) SMAD3ALDH1A1RECQLTDP1HPGD
SCHEMBL1463748 0.88 SMAD3 (0.65) SMAD3ALDH1A1RECQLTDP1HPGD
SCHEMBL1464072 0.87 SMAD3 (0.82) SMAD3ALDH1A1RECQLTDP1HPGD
SCHEMBL3420556 0.86 SMAD3 (0.58) SMAD3ALDH1A1RECQLTDP1HPGD
SCHEMBL1463198 0.85 SMAD3 (0.56) SMAD3ALDH1A1RECQLTDP1HPGD
SCHEMBL4574704 0.78 SMAD3 (0.61) SMAD3ALDH1A1RECQLTDP1HPGD
SCHEMBL2472102 0.78 ALDH1A1 (0.45) SMAD3ALDH1A1RECQLTDP1HPGD
SCHEMBL1444969 0.76 SMAD3 (0.77) SMAD3ALDH1A1RECQLTDP1HPGD
SCHEMBL30887311 0.76 ALDH1A1 (0.63) SMAD3ALDH1A1RECQLTDP1HPGD
SCHEMBL134733 0.76 ALDH1A1 (0.63) SMAD3ALDH1A1RECQLTDP1HPGD

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 7 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
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

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 SMAD3 4320/4885ALDH1A1 483/4885RECQL 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 SMAD3 4320/4885ALDH1A1 483/4885RECQL 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 SMAD3 4320/4885ALDH1A1 483/4885RECQL 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.