SCHEMBL6029196

SCHEMBL6029196

Nc1ccc(Cc2ccc(I)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.74
ALDH1A1 P00352 1/20 0.74
TSHR P16473 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
APP P05067 2/20 0.57
GFER P55789 1/20 0.50
CYP17A1 P05093 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
IDO1 P14902 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL19987394 0.87 CYP3A4 (0.56) CYP3A4ALDH1A1TSHRTDP1APP
4,4'-Methylenedianiline SCHEMBL15105282 0.86 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1GFER
4,4'-Methylenedianiline SCHEMBL28001 0.86 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1GFER
SCHEMBL1304762 0.86 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1GFER
SCHEMBL6362775 0.86 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1GFER
SCHEMBL8094139 0.86 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1GFER
SCHEMBL5491719 0.86 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRTDP1APP
SCHEMBL3482770 0.86 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1GFER
4,4'-Methylenedianiline SCHEMBL2529236 0.83 CYP3A4 (0.93) CYP3A4ALDH1A1TSHRTDP1GFER
4,4'-Methylenedianiline SCHEMBL5712040 0.83 CYP3A4 (0.93) CYP3A4ALDH1A1TSHRTDP1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-6986886-B2 Hair conditioning compositions and their use in hair coloring compositions THE PROCTER & GAMBLE COMPANY (US) 2006-01-17 US disclosed
US-20040158941-A1 Hair colouring and conditioning compositions THE PROCTER & GAMBLE COMPANY (US) 2004-08-19 US disclosed
US-20040158938-A1 Method for colouring hair THE PROCTER & GAMBLE COMPANY 2004-08-19 US disclosed
US-6695888-B2 COMPLEX TRANSITION METAL HAIR DYE UNILEVER HOME & PERSONAL CARE, USA, DIVISION OF CONOPCO, INC. 2004-02-24 US disclosed
US-20040019980-A1 One step hair coloring compositions using salts UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-02-05 US disclosed
US-20030219399-A1 Hair conditioning compositions and their use in hair colouring compositions THE PROCTER & GAMBLE COMPANY (US) 2003-11-27 US disclosed
EP-0876134-B1 HAIR COLORING COMPOSITIONS PROCTER & GAMBLE (US) 2003-09-03 EP disclosed
US-20030110579-A1 Method for colouring hair THE PROCTER & GAMBLE COMPANY (US) 2003-06-19 US disclosed
EP-0869769-A1 HAIR BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-10-14 EP disclosed
WO-1998027943-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-07-02 WO disclosed
WO-1998027945-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-07-02 WO disclosed
WO-1998027942-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-07-02 WO disclosed
WO-1998027944-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-07-02 WO disclosed
WO-1998027941-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-07-02 WO disclosed
WO-1997024108-A1 HAIR BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-07-10 WO disclosed
WO-1997024106-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-07-10 WO disclosed
WO-1997024105-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-07-10 WO disclosed
WO-1997024107-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-07-10 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 (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-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 CYP3A4 4654/4885ALDH1A1 3708/4885TSHR 642/4885
US-20030110579-A1 Method for colouring hair COX5B, SHH, DNMT3A CYP3A4 1944/4885ALDH1A1 209/4885TSHR 3767/4885
US-20030219399-A1 Hair conditioning compositions and their use in hair colouring compositions CD99, HLA-C, PLOD1 CYP3A4 4370/4885ALDH1A1 1318/4885TSHR 4180/4885
US-20040158941-A1 Hair colouring and conditioning compositions FNIP1, CUTA, SHH CYP3A4 4246/4885ALDH1A1 1162/4885TSHR 2357/4885
US-20040158938-A1 Method for colouring hair COX5B, SHH, DNMT3A CYP3A4 1944/4885ALDH1A1 209/4885TSHR 3767/4885

“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.