SCHEMBL4873097

SCHEMBL4873097

CCOC(=O)c1cc[n+]([O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.58
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA7 P43166 3/20 0.58
CA9 Q16790 3/20 0.58
CA14 Q9ULX7 3/20 0.58
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAOA P21397 1/20 0.56
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 4/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL14107747 0.85 LMNA (0.62) ESR1LMNACYP1A2CYP3A4KMT2A
SCHEMBL20160698 0.82 CA1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL10256558 0.82 CA1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL87450 0.81 CA1 (0.83) CA12CA1CA2CA7CA9
Iodide SCHEMBL2890665 0.81 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL18312424 0.81 ALDH1A1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL14081917 0.80 L3MBTL1 (0.46) LMNAKMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL8927464 0.80 TSHR (0.51) ESR1LMNACYP3A4KMT2AALDH1A1
SCHEMBL4894958 0.80 TP53 (0.51) HPGD
SCHEMBL10169860 0.79 CA1 (0.56) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4364109-A None JP disclosed
US-11056705-B2 Organic anolyte materials for flow batteries THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-07-06 US disclosed
US-20180138539-A1 ORGANIC ANOLYTE MATERIALS FOR FLOW BATTERIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-05-17 US disclosed
US-20180138539-A1 ORGANIC ANOLYTE MATERIALS FOR FLOW BATTERIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-05-17 US disclosed
WO-2016200870-A1 ORGANIC ANOLYTE MATERIALS FOR FLOW BATTERIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-12-15 WO disclosed
US-7417156-B2 Orally active, antimalarial, anticancer, artemisinin-derived trioxane dimers JOHNS HOPKINS UNIVERSITY (US) 2008-08-26 US disclosed
US-7417156-B2 Orally active, antimalarial, anticancer, artemisinin-derived trioxane dimers JOHNS HOPKINS UNIVERSITY (US) 2008-08-26 US disclosed
EP-1270577-B1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-12-06 EP disclosed
US-20060142377-A1 Orally active, antimalarial, anticancer, artemisinin-derived trioxane dimers with high selectively, stability and efficacy and methods of making the same JOHNS HOPKINS UNIVERSITY-LICENSE & TECHNOLOGY DEVE (US) 2006-06-29 US disclosed
US-6924292-B2 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 US disclosed
WO-2004028476-A2 ARTEMISININ-DERIVED TRIOXANE DIMERS JOHNS HOPKINS UNIVERSITY (US) 2004-04-08 WO disclosed
EP-1270577-A1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
EP-0576622-A1 LITHOGRAPHIC PRINTING PLATES EASTMAN KODAK COMPANY (US) 1994-01-05 EP disclosed
JP-H04364109-A HAIR TONIC SHISEIDO CO LTD 1992-12-16 JP disclosed
WO-1992017821-A1 LITHOGRAPHIC PRINTING PLATES EASTMAN KODAK COMPANY (US) 1992-10-15 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-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof PDE3B, PDE5A, PDE3A CA12 2215/4885CA1 832/4885CA2 186/4885
US-20060142377-A1 Orally active, antimalarial, anticancer, artemisinin-derived trioxane dimers with high selectively, stability and efficacy and methods of making the same HCCS, ACIN1, ADH1A CA12 184/4885CA1 24/4885CA2 91/4885
US-20180138539-A1 ORGANIC ANOLYTE MATERIALS FOR FLOW BATTERIES NOX4, NDUFS4, CYBB CA12 622/4885CA1 294/4885CA2 648/4885
US-11056705-B2 Organic anolyte materials for flow batteries NOX4, NDUFS4, CYBB CA12 622/4885CA1 294/4885CA2 648/4885

“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.