SCHEMBL13058013

SCHEMBL13058013

CC1(C)OB(c2ccc3c(c2)Oc2cc(B4OC(C)(C)C(C)(C)O4)ccc2N3)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 14/20 0.46
LPL P06858 13/20 0.46
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
F11 P03951 1/20 0.37
ALOX5 P09917 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ESR2 Q92731 1/20 0.35

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
SCHEMBL18333498 0.92 ALOX5 (0.52) LIPGLPLALOX5PRMT5WDR77
SCHEMBL30869831 0.86 LIPG (0.46) LIPGLPLCA1CA2CA9
SCHEMBL10171009 0.84 ALDH1A1 (0.41) LIPGLPLCA1CA2CA9
SCHEMBL10074112 0.83 LPL (0.48) LIPGLPLCA1CA2CA9
SCHEMBL10074115 0.83 LPL (0.48) LIPGLPLCA1CA2CA9
SCHEMBL47074 0.79 LPL (0.53) LIPGLPLCA1CA2CA9
SCHEMBL21493541 0.78 BRD4 (0.45) LIPGLPLPRMT5WDR77
SCHEMBL14513574 0.77 LIPG (0.45) LIPGLPLCA1CA2CA9
SCHEMBL421621 0.77 CYP11B1 (0.47)
SCHEMBL30284843 0.77 CYP11B1 (0.47)

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-10449536-B2 Diagnostic devices with modifiable hydrophobic surfaces SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2019-10-22 US disclosed
US-20170246627-A1 DIAGNOSTIC DEVICES WITH MODIFIABLE HYDROPHOBIC SURFACES SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2017-08-31 US disclosed
US-20170246627-A1 DIAGNOSTIC DEVICES WITH MODIFIABLE HYDROPHOBIC SURFACES SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2017-08-31 US disclosed
WO-2016036658-A1 DIAGNOSTIC DEVICES WITH MODIFIABLE HYDROPHOBIC SURFACES SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-03-10 WO disclosed
US-7842823-B2 Fluorogenic probes for reactive oxygen species THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-11-30 US disclosed
US-7842823-B2 Fluorogenic probes for reactive oxygen species THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-11-30 US 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-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-20090144914-A1 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS LIM MU LLL 2009-06-11 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
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
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY 2007-09-13 US 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 (2 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-20090144914-A1 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS KRT18, AKR7A2, AKR1C4 LIPG 3289/4885LPL 3490/4885CA1 1171/4885
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions KRT18, AKR7A2, AKR1C4 LIPG 3289/4885LPL 3490/4885CA1 1171/4885

“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.