SCHEMBL3277622

SCHEMBL3277622

C=C(c1ccccc1OC)c1ccccc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA12 O43570 1/20 0.57
CA4 P22748 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CTSD P07339 1/20 0.53
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
STAT3 P40763 1/20 0.50
NPC1 O15118 3/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 2/20 0.48
ENPP2 Q13822 1/20 0.48
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ORAI1 Q96D31 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
SCHEMBL28558451 0.89 RAB9A (0.54) CA1CA2CA7CA9CA12
SCHEMBL10606932 0.88 ALDH1A1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL13539020 0.86 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL17391571 0.86 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL1433789 0.86 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL31093097 0.86 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL8363515 0.84 CTSD (0.54) CA1CA2CA7CA9CA12
SCHEMBL2046808 0.84 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL22926249 0.84 CA1 (0.56) CA1CA2CA7CA9CA12
SCHEMBL16933973 0.84 CA1 (0.50) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2019130-B1 NOVEL COMPOUND, OPTICAL FILTER USING THE COMPOUND, AND OPTICAL RECORDING MATERIAL ADEKA CORP (JP) 2012-12-05 EP disclosed
US-7695793-B2 Compound, optical filter and optical recording material using the same ADEKA CORPORATION (JP) 2010-04-13 US disclosed
US-20090137800-A1 NOVEL COMPOUND, OPTICAL FILTER AND OPTICAL RECORDING MATERIAL USING THE SAME ADEKA CORPORATION (JP) 2009-05-28 US disclosed
EP-2019130-A1 NOVEL COMPOUND, OPTICAL FILTER USING THE COMPOUND, AND OPTICAL RECORDING MATERIAL Adeka Corporation (JP) 2009-01-28 EP disclosed
EP-0403026-B1 12-Substituted-12H-dibenzo(D,G)(1,3)dioxocin-6-carboxylic acids, herbicidal compositions, and a method of controlling undesirable vegetation DOWELANCO (US) 1994-03-02 EP disclosed
US-5158597-A Herbicidal 12-substituted 12H-dibenzo[d,g]dioxocin-6-carboxylic acids THE DOW CHEMICAL COMPANY (US) 1992-10-27 US disclosed
US-5071465-A Preemergence; postemergence THE DOW CHEMICAL COMPANY (US) 1991-12-10 US disclosed
US-4999448-A ALKYLATION WITH PHENYLTHIOMETHYL LITHIUM COMPOUND, CYCLIZATION, INTERMEDIATES FOR HERBICIDES THE DOW CHEMICAL COMPANY (US) 1991-03-12 US disclosed
EP-0403026-A1 12-Substituted-12H-dibenzo(D,G)(1,3)dioxocin-6-carboxylic acids, herbicidal compositions, and a method of controlling undesirable vegetation DowElanco (US) 1990-12-19 EP disclosed
US-4938790-A Herbicidal 12-substituted 12H-dibenzo(D,G)(1,3)dioxocin-6-carboxylic acids THE DOW CHEMICAL COMPANY (US) 1990-07-03 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-20090137800-A1 NOVEL COMPOUND, OPTICAL FILTER AND OPTICAL RECORDING MATERIAL USING THE SAME KCNQ2, KCNQ1, KCNQ4 CA1 649/4885CA2 310/4885CA7 809/4885

“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.