SCHEMBL3199027

SCHEMBL3199027

c1ccc2c(B3OCCO3)cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 4/20 0.39
CYP2A6 P11509 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 5/20 0.37
HPGD P15428 2/20 0.37
CYP3A4 P08684 1/20 0.37
KEAP1 Q14145 1/20 0.37
HPRT1 P00492 1/20 0.36
HDAC8 Q9BY41 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MMP3 P08254 1/20 0.33
KDM1A O60341 1/20 0.33
HIF1A Q16665 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
SCHEMBL30391672 1.00 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL7214927 0.92 ALDH1A1 (0.36) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4560305 0.89 ALDH1A1 (0.31) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL13855223 0.83 NISCH (0.36) ALDH1A1HSD17B10TSHRTDP1HPGD
SCHEMBL3575080 0.82 CA1 (0.33) CA12CA1CA2CA9
SCHEMBL14241619 0.80 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL2270952 0.80 ALDH1A1 (0.35) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL3579066 0.79 HSD17B10 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL13855224 0.77 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL14983527 0.76 TRPM4 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018146-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS The Procter and Gamble Company (US) 2009-01-28 EP claimed
WO-2007102126-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2007-09-13 WO claimed
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY 2007-09-13 US claimed
EP-2479160-B1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND UNIV OSAKA (JP) 2015-09-09 EP disclosed
US-8945820-B2 Silicon-containing resist underlayer film-forming composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-8945820-B2 Silicon-containing resist underlayer film-forming composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-20130137271-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137271-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-05-30 US disclosed
EP-2479160-A1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND Osaka University (JP) 2012-07-25 EP disclosed
US-20120171111-A1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND OSAKA UNIVERSITY (JP) 2012-07-05 US disclosed
US-20120171111-A1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND OSAKA UNIVERSITY (JP) 2012-07-05 US disclosed
WO-2011034071-A1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND 国立大学法人大阪大学 (JP) 2011-03-24 WO disclosed
US-7678158-B2 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY (US) 2010-03-16 US disclosed
US-20100004454-A1 QUINOLINIUM ION DERIVATIVES, PROCESS FOR THE PRODUCTION OF THE DERIVATIVES, PRODUCTS MADE BY USING THE SAME, AND REDUCTION AND OXIDATION METHODS WITH THE DERIVATIVES OSAKA UNIVERSITY (JP) 2010-01-07 US disclosed
US-20100004454-A1 QUINOLINIUM ION DERIVATIVES, PROCESS FOR THE PRODUCTION OF THE DERIVATIVES, PRODUCTS MADE BY USING THE SAME, AND REDUCTION AND OXIDATION METHODS WITH THE DERIVATIVES OSAKA UNIVERSITY (JP) 2010-01-07 US disclosed
US-20090144914-A1 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS LIM MU LLL 2009-06-11 US disclosed
US-7507262-B2 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY (US) 2009-03-24 US disclosed
EP-2018146-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS The Procter and Gamble Company (US) 2009-01-28 EP disclosed
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY 2007-09-13 US disclosed
WO-2007102126-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2007-09-13 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 (4 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-20120171111-A1 PROCESS FOR PRODUCTION OF OXIDATION REACTION PRODUCT OF AROMATIC COMPOUND TYR, AOX1, POR ALDH1A1 557/4885HSD17B10 1082/4885CYP2A6 427/4885
US-20090144914-A1 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS KRT18, AKR7A2, AKR1C4 ALDH1A1 205/4885HSD17B10 1179/4885CYP2A6 564/4885
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions KRT18, AKR7A2, AKR1C4 ALDH1A1 205/4885HSD17B10 1179/4885CYP2A6 564/4885
US-20100004454-A1 QUINOLINIUM ION DERIVATIVES, PROCESS FOR THE PRODUCTION OF THE DERIVATIVES, PRODUCTS MADE BY USING THE SAME, AND REDUCTION AND OXIDATION METHODS WITH THE DERIVATIVES APEX1, NQO1, POT1 ALDH1A1 420/4885HSD17B10 1986/4885CYP2A6 4231/4885

“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.