SCHEMBL709601

SCHEMBL709601

Oc1ccccc1C=NCCCCCCN=Cc1ccccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 1.00
CA2 P00918 7/20 1.00
CA9 Q16790 6/20 1.00
KDM4E B2RXH2 2/20 0.81
CA1 P00915 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.52
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CTRC Q99895 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46

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
SCHEMBL29707656 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1
SCHEMBL14353888 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1
SCHEMBL14353945 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1
SCHEMBL15456115 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1
SCHEMBL1300527 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1
SCHEMBL24435598 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1
SCHEMBL14353889 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1
SCHEMBL1300528 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1
SCHEMBL14353944 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1
SCHEMBL13784681 1.00 CA12 (1.00) CA12CA2CA9KDM4ECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7161046-B2 Process for the preparation of alkylene glycols SAUDI BASIC INDUSTRIES CORPORATION (SA) 2007-01-09 US claimed
US-8123976-B2 Alkaline aqueous solution composition used for washing or etching substrates KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-02-28 US disclosed
US-20090001315-A1 ALKALINE AQUEOUS SOLUTION COMPOSITION USED FOR WASHING OR ETCHING SUBSTRATES KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-01-01 US disclosed
US-7253325-B2 Process for the preparation of alkylene glycols SAUDI BASIC INDUSTRIES CORPORATION (SA) 2007-08-07 US disclosed
US-20070066856-A1 Process for the preparation of alkylene glycols SAUDI BASIC INDUSTRIES CORPORATION 2007-03-22 US disclosed
US-7161046-B2 Process for the preparation of alkylene glycols SAUDI BASIC INDUSTRIES CORPORATION (SA) 2007-01-09 US disclosed
US-6328943-B1 CONTACTING IRON SULFIDES AND/OR PRECURSORS THEREOF IN THE PRESENCE OF AIR WITH AN EFFECTIVE INHIBITING AMOUNT OF A TREATMENT COMPOUND SELECTED FROM AMINE, ALCOHOL, KETONE, OR MIXTURES BETZDEARBORN INC. 2001-12-11 US disclosed
US-6127301-A Catalyst system and method for reaction of olefin SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-03 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-20070066856-A1 Process for the preparation of alkylene glycols PCNA, IDH1, POLN CA12 425/4885CA2 1693/4885CA9 914/4885

“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.