SCHEMBL837801

SCHEMBL837801

OOOSc1ccc2ccc(O)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ESR1 P03372 8/20 0.44
ESR2 Q92731 8/20 0.44
CYP1A2 P05177 2/20 0.43
ABL1 P00519 2/20 0.34
ABCB1 P08183 2/20 0.34
BCR P11274 2/20 0.34
PTPN11 Q06124 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
NR1H2 P55055 1/20 0.33
MAPT P10636 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B1 P14061 1/20 0.33

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
SCHEMBL837577 0.94 CYP3A4 (0.57) CYP3A4ALOX15TSHRHIF1AHSD17B10
SCHEMBL2734946 0.80 CYP1A2 (0.41) CYP3A4HSD17B10TDP1ESR1ESR2
SCHEMBL13223083 0.79 CYP2A6 (0.52) ALOX15HSD17B10TDP1CYP1A2PTPN11
SCHEMBL13861485 0.79 ALDH1A1 (0.42) CYP3A4ALOX15TSHRHIF1AHSD17B10
SCHEMBL11887231 0.79 NR1H2 (0.48) CYP3A4ALOX15TSHRHIF1AHSD17B10
SCHEMBL13252180 0.77 CYP3A4 (0.37) CYP3A4ALOX15TSHRHIF1AHSD17B10
SCHEMBL14496941 0.75 CYP3A4 (0.36) CYP3A4ALOX15TSHRHIF1AHSD17B10
SCHEMBL838141 0.74 ALDH1A1 (0.41) TSHRHSD17B10TDP1CYP1A2PTPN11
SCHEMBL29711 0.73 CYP1A2 (0.72) CYP3A4ALOX15TSHRHIF1AHSD17B10
SCHEMBL29358095 0.73 CYP1A2 (0.72) CYP3A4ALOX15TSHRHIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8221957-B2 Planographic printing plate precursor and printing method using the same FUJIFILM CORPORATION (JP) 2012-07-17 US disclosed
US-8142982-B2 Lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2012-03-27 US disclosed
US-8113116-B2 Lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2012-02-14 US disclosed
US-7754273-B2 Method of printing a time-temperature indicator based on azo coupling reactions onto a susbtrate CIBA SPECIALTY CHEMICALS CORP. (US) 2010-07-13 US disclosed
US-20100071574-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PRINTING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed
US-20090246696-A1 PLANOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-20090197205-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PRINTING METHOD FUJIFILM CORPORATION (JP) 2009-08-06 US disclosed
US-20090114108-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND LITHOGRAPHIC PRINTING METHOD FUJIFILM CORPORATION (JP) 2009-05-07 US disclosed
US-20090111049-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-04-30 US disclosed
US-20090047601-A1 PLANOGRAPHIC PRINTING PLATE PRECURSOR AND PRINTING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-02-19 US disclosed
US-20070218206-A1 Method of Printing a Time-Temperature Indicator Based on Azo Coupling Reactions onto a Susbtrate CIBA SPECIALTY CHEMICALS CORP. 2007-09-20 US disclosed
US-20070214987-A1 Lithographic printing plate precursor FUJIFILM CORPORATION 2007-09-20 US disclosed
US-7232467-B2 Dyeing hair with capped diazonium compound; intense, striking coloration; light, shampoo and rub fastness; storage stability; nondamaging, nonstaining CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-06-19 US disclosed
US-7229479-B2 Method of coloring porous material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-06-12 US disclosed
US-20070124872-A1 Method of coloring with capped diazotized compound and coupling component CIBA SPECIALTY CHEMICALS CORP. 2007-06-07 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 (1 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-20070124872-A1 Method of coloring with capped diazotized compound and coupling component TYR, C5, C9 CYP3A4 656/4885ALOX15 2492/4885TSHR 4777/4885

“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.