SCHEMBL3132323

SCHEMBL3132323

COc1cc(O)c2c(c1O)C(=O)C(CC(C)=O)=CC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.39
▸ LMNA P02545 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2B6 P20813 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ NFKB1 P19838 3/20 0.34
▸ ALOX5 P09917 2/20 0.34
▸ STAT3 P40763 2/20 0.34
▸ NFKB2 Q00653 2/20 0.34
▸ RELA Q04206 2/20 0.34
▸ PTGES O14684 1/20 0.34
▸ PKM P14618 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA3 P07451 1/20 0.34

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
SCHEMBL5820540 0.78 PTGS2 (0.39) CYP3A4LMNAPIM1CYP1A2CYP2D6
SCHEMBL3147213 0.76 CYP3A4 (0.39) CYP3A4LMNAPIM1CYP1A2CYP2D6
SCHEMBL31181468 0.75 PKM (0.36) LMNAHTTPTGS2PKM
SCHEMBL31536865 0.73 COPS5 (0.40) CYP3A4ALOX5PRKCE
SCHEMBL5821593 0.72 PTGS2 (0.39) CYP3A4LMNAPIM1CYP1A2CYP2D6
SCHEMBL5820346 0.66 MEN1 (0.47) CYP3A4LMNAPIM1CYP1A2CYP2D6
SCHEMBL2913406 0.66 LMNA (0.57) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL19303777 0.64 EGFR (0.38) CYP3A4LMNAPIM1CYP1A2HTT
SCHEMBL23199058 0.64 PIM1 (0.49) CYP3A4LMNAPIM1HTTALDH1A1
SCHEMBL23198970 0.64 MAPT (0.47) CYP3A4PIM1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261254-A4 METHOD OF CONTROLLING ZOOLOGICAL AND AQUATIC PLANT GROWTH GARNETT INC (US) 2005-11-23 — — EP claimed
US-20030012804-A1 Aquacide and use AQUACIDE AND USE 2003-01-16 — — US claimed
EP-1261254-A2 METHOD OF CONTROLLING ZOOLOGICAL AND AQUATIC PLANT GROWTH Garnett, Inc. (US) 2002-12-04 — — EP claimed
WO-2001060971-A2 METHOD OF CONTROLLING ZOOLOGICAL AND AQUATIC PLANT GROWTH GARNETT, INC. (US) 2001-08-23 — — WO claimed
US-20100000457-A1 Method of controlling zoological and aquatic plant growth CUTLER HORACE G 2010-01-07 — — US disclosed
EP-2130436-A1 Method of controlling zoological and aquatic plant growth Garnett, Inc. (US) 2009-12-09 — — EP disclosed
EP-2105050-A1 Method of controlling zoological and aquatic plant growth Garnett, Inc. (US) 2009-09-30 — — EP disclosed
EP-1261254-B1 METHOD OF CONTROLLING ZOOLOGICAL AND AQUATIC PLANT GROWTH GARNETT INC (US) 2009-09-02 — — EP disclosed
US-7348363-B2 Method of controlling zoological and aquatic plant growth GARNETT, INC. (US) 2008-03-25 — — US disclosed
US-20060003894-A1 Method of controlling zoological and aquatic plant growth CUTLER HORACE G 2006-01-05 — — US disclosed
EP-1261254-A4 METHOD OF CONTROLLING ZOOLOGICAL AND AQUATIC PLANT GROWTH GARNETT INC (US) 2005-11-23 — — EP disclosed
US-6576674-B2 Aquacidal compound comprising an anthraquinone; particularly effective for treating ballast water of ships or other enclosed volumes of water to control the relocation of plants, toxic bacteria, and animals contained in the water. GARNETT, INC. 2003-06-10 — — US disclosed
US-20030012804-A1 Aquacide and use AQUACIDE AND USE 2003-01-16 — — US disclosed
EP-1261254-A2 METHOD OF CONTROLLING ZOOLOGICAL AND AQUATIC PLANT GROWTH Garnett, Inc. (US) 2002-12-04 — — EP disclosed
US-20020098979-A1 Method of controlling zoological and aquatic plant growth CUTLER STEPHEN J (US) 2002-07-25 — — US disclosed
US-20020098978-A1 Method of controlling zoological and aquatic plant growth CUTLER STEPHEN J (US) 2002-07-25 — — US disclosed
US-6340468-B1 KILLING A TARGET AQUATIC PEST SELECTED FROM VIRUSES, PROTISTS, FUNGI, MOLDS, PLANTS, HOLOPLANKTONIC ORGANISMS, MEROPLANKTONIC ORGANISMS, DEMERSAL ORGANISMS, BENTHIC ORGANISMS, ECT., BY APPLYING NAPHTHALENEDIONE COMPOUND GARNETT, INC. 2002-01-22 — — US disclosed
WO-2001060971-A2 METHOD OF CONTROLLING ZOOLOGICAL AND AQUATIC PLANT GROWTH GARNETT, INC. (US) 2001-08-23 — — 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 (5 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-20020098978-A1 Method of controlling zoological and aquatic plant growth ANTXR2, AQP1, AQP3 CYP3A4 2936/4885LMNA 3873/4885PIM1 4515/4885
US-20100000457-A1 Method of controlling zoological and aquatic plant growth ANTXR2, NQO2, CYP4A22 CYP3A4 164/4885LMNA 4265/4885PIM1 3094/4885
US-20030012804-A1 Aquacide and use ANTXR2, CYP4A22, NQO2 CYP3A4 123/4885LMNA 4147/4885PIM1 3572/4885
US-20020098979-A1 Method of controlling zoological and aquatic plant growth ANTXR2, NQO2, CYP4A22 CYP3A4 164/4885LMNA 4265/4885PIM1 3094/4885
US-20060003894-A1 Method of controlling zoological and aquatic plant growth ANTXR2, NQO2, CYP4A22 CYP3A4 164/4885LMNA 4265/4885PIM1 3094/4885

“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.

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